N-(4-methylphenyl)-2-(4-oxo-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetamide

Formula:C32H31N3O2S Mutagenic:none Tumorigenic:none Reproductive Effective:high N-(4-methylphenyl)-2-(4-oxo-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetamide is not a drug-like molecule.

MolName	N-(4-methylphenyl)-2-(4-oxo-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetamide
MolecularFormula	C32H31N3O2S
Smiles	Cc(cc1)ccc1NC(CSC(N1c2ccccc2)=NC(c2c(CC34CCCCC4)cccc2)=C3C1=O)=O
InChI	InChI=1S/C32H31N3O2S/c1-22-14-16-24(17-15-22)33-27(36)21-38-31-34-29-26-13-7-6-10-23(26)20-32(18-8-3-9-19-32)28(29)30(37)35(31)25-11-4-2-5-12-25/h2,4-7,10-17H,3,8-9,18-21H2,1H3,(H,33,36)
InChIK	COAROTOBVHINSP-UHFFFAOYSA-N
TotalMolweight	521.683
Molweight	521.683
MonoisotopicMass	521.213697
CLogP	6.3185
CLogS	-7.732
H Acceptors	5
H Donors	1
TotalSurfaceArea	391.91
Relative PSA	0.17884
PolarSurfaceArea	87.07
Druglikeness	-0.51717
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.44737
Fragments	1
Non HAtoms	38
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	10
Symmetricatoms	6
Amides	2
StereoCon

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