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Compound 95
  CheckMol                        TMF02:r0:m0
MF=C27H36N2O5 MW=468.59
 34 37  0  6  1               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    0.5557   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4779    2.0691   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4711   -0.4493   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7076    2.9322   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1655    2.8258   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9491   -0.2128   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.1264    2.5066   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1469    2.0809   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6939    1.0996   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.6939   -1.5016   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.4593    2.8376   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1837    1.1114   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.1837   -1.4898   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.7717    2.0928   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9286   -0.1774   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.9168   -2.7785   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0841    2.8495   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7835    0.6030   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4184   -0.1655   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4065   -2.7667   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3965    2.1046   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1632   -1.4543   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7985    0.6621   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8627    2.5066   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2647    1.0641   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.4202   -0.7804   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.3406    0.0118   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.4961   -1.8326   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -8.9622   -1.4306   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.1178   -3.2751   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0382   -2.4829   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6753   -3.6535   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6598   -3.9254   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  1  0  0
  2  4  1  0  1  0  0
  3  5  1  0  1  0  0
  3  6  1  0  0  0  0
  4  7  1  0  1  0  0
  5  8  1  0  1  0  0
  6  9  1  0  0  0  0
  7 10 02  0  2  0  0
  7 11 01  0  1  0  0
  9 12  1  0  0  0  0
 10 13 01  0  1  0  0
 11 14 02  0  1  0  0
 12 15  1  0  0  0  0
 13 16 02  0  1  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 22 18  1  6  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  1  0  0
 22 25  1  0  1  0  0
 24 26 02  0  2  0  0
 24 27 01  0  1  0  0
 26 28 01  0  1  0  0
 27 29 02  0  1  0  0
 28 30 02  0  1  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
  8 10  1  0  1  0  0
 14 16 01  0  1  0  0
 25 26  1  0  1  0  0
 29 30 01  0  1  0  0
M  END

Ivabradine

₹ 0.00 0.00

Chemical Name - Ivabradine
Mol Weight - 468.592
Smiles - CN(CCCN(CCc(cc1OC)c(C2)cc1OC)C2=O)C[C@@H](C1)c(cc2OC)c1cc2OC

Property Name	Property Value
Mol Name	Ivabradine
Molweight	468.592
Monoisotopic Mass	468.262423
Clogp	3.6523
Clogs	-3.19
H Acceptors	7
Total Surface Area	368.25
Relative Psa	0.16331
Polar Surface Area	60.47
Druglikeness	7.003
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.58824
Molecular Flexibility	0.54561
Molecular Complexity	0.8878
Fragments	1
Non H Atoms	34
Non Ch Atoms	7
Electronegative Atoms	7
Stereo Centers	1
Rotatable Bonds	10
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	19
Amides	1
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	CN(CCCN(CCc(cc1OC)c(C2)cc1OC)C2=O)C[C@@H](C1)c(cc2OC)c1cc2OC
InChIKey
InChI	C27H36N2O5

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Ivabradine