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Compound 77
  CheckMol                        TMF02:r0:m0
MF=C21H30O2 MW=314.47
 23 26  0 10  1               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4482    1.4391   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5662    2.5597   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8991    1.7576   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1180    3.9988   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3474    3.1967   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3329    4.3173   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1324    5.1194   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7812    5.7563   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7838    4.6357   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6842    6.5585   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    6.8769   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    6.0748   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2150    8.3160   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6803    7.5139   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6658    8.6345   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4600    9.6254   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8074   10.1326   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0813    9.1063   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4509   10.7460   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0931   10.8875   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0813   12.3974   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3789   10.1444   -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  2  0  1  0  0
  4  6  1  0  1  0  0
  5  7  1  0  2  0  0
  5  8  1  0  1  0  0
  7  9  1  0  1  0  0
  7 10  1  6  0  0  0
  8 11  1  0  1  0  0
  9 12  1  0  2  0  0
  9 13  1  6  1  0  0
 12 14  1  0  1  0  0
 13 15  1  0  1  0  0
 14 16  1  0  2  0  0
 14 17  1  6  1  0  0
 16 18  1  0  1  0  0
 16 19  1  6  0  0  0
 17 20  1  0  1  0  0
 18 21  1  6  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
  6  7  1  0  1  0  0
 12 11  1  1  1  0  0
 15 16  1  0  1  0  0
 18 20  1  0  1  0  0
M  END

Progesterone

₹ 0.00 0.00

Chemical Name - Progesterone
Mol Weight - 314.467
Smiles - C[C@](CC1)([C@@H](CC2)[C@H](CC3)[C@H]1[C@@](C)(CC1)C3=CC1=O)[C@H]2C(C)=O

Property Name	Property Value
Mol Name	Progesterone
Molweight	314.467
Monoisotopic Mass	314.22458
Clogp	4.019
Clogs	-4.542
H Acceptors	2
Total Surface Area	237.39
Relative Psa	0.10986
Polar Surface Area	34.14
Druglikeness	0.77149
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.52174
Molecular Flexibility	0.20694
Molecular Complexity	0.91922
Fragments	1
Non H Atoms	23
Non Ch Atoms	2
Electronegative Atoms	2
Stereo Centers	6
Rotatable Bonds	1
Rings Closures	4
Small Rings	4
Sp3 Atoms	17
Smiles	C[C@](CC1)([C@@H](CC2)[C@H](CC3)[C@H]1[C@@](C)(CC1)C3=CC1=O)[C@H]2C(C)=O
InChIKey	InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21-/m1/s1
InChI	RJKFOVLPORLFTN-SJFWLOONSA-N

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Progesterone