(5Z,16Z)-25-(8-hydroxy-9H-pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol

Formula:C36H44N4O2 Mutagenic:low Tumorigenic:none Reproductive Effective:none (5Z,16Z)-25-(8-hydroxy-9H-pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol is not a drug-like molecule.

MolName	(5Z,16Z)-25-(8-hydroxy-9H-pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol
MolecularFormula	C36H44N4O2
Smiles	OC(CC/C=C\CCCCN1CC2(C3)C4CC1)(C2N1C3/C=C\CCCC1)C=C4c1nccc(c2ccc3)c1[nH]c2c3O
InChI	InChI=1S/C36H44N4O2/c41-30-14-11-13-26-27-15-18-37-32(33(27)38-31(26)30)28-23-36(42)17-8-4-1-2-5-9-19-39-21-16-29(28)35(24-39)22-25-12-7-3-6-10-20-40(25)34(35)36/h1,4,7,11-15,18,23,25,29,34,38,41-42H,2-3,5-6,8-10,16-17,19-22,24H2/b4-1?,12-7-
InChIK	AMSNINGPDSUBHZ-JWPCFPIQSA-N
TotalMolweight	564.771
Molweight	564.771
MonoisotopicMass	564.346426
CLogP	6.1979
CLogS	-5.485
H Acceptors	6
H Donors	3
TotalSurfaceArea	425.26
Relative PSA	0.137
PolarSurfaceArea	75.62
Druglikeness	-2.2323
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.33333
Fragments	1
Non HAtoms	42
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	5
Rotatable Bond	1
Rings Closures	8
Small Rings	6
Aromatic Rings	3
Aromatic Atoms	13
Sp3Atoms	23
Amines	2
AlkylAmines	2
Aromatic Nitrogens	2
BasicNitrogens	2
StereoCon	unknown chirality

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1 - (5Z,16Z)-25-(8-hydroxy-9H-pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol | 2 - (5Z,16Z)-25-(8-hydroxy-9H-pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol

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