2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-3-benzylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one

Formula:C31H28N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-3-benzylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one is not a drug-like molecule.

MolName	2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-3-benzylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
MolecularFormula	C31H28N4O3
Smiles	O=C1N(Cc2ccccc2)C(N/N=C\c(cc2)cc3c2OCO3)=NC2=C1C1(CCCC1)Cc1c2cccc1
InChI	InChI=1S/C31H28N4O3/c36-29-27-28(24-11-5-4-10-23(24)17-31(27)14-6-7-15-31)33-30(35(29)19-21-8-2-1-3-9-21)34-32-18-22-12-13-25-26(16-22)38-20-37-25/h1-5,8-13,16,18H,6-7,14-15,17,19-20H2,(H,33,34)
InChIK	AJUHZEZLGJDGKS-UHFFFAOYSA-N
TotalMolweight	504.588
Molweight	504.588
MonoisotopicMass	504.216141
CLogP	6.1898
CLogS	-7.572
H Acceptors	7
H Donors	1
TotalSurfaceArea	375.67
Relative PSA	0.18918
PolarSurfaceArea	75.52
Druglikeness	3.9401
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.39474
Fragments	1
Non HAtoms	38
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	7
Small Rings	7
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	10
Symmetricatoms	4
Amides	1
BasicNitrogens	1
StereoCon

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1 - 2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-3-benzylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one | 2 - 2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-3-benzylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one

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