N-[1-benzoyl-2-phenyl-5-[(E)-2-phenylethenyl]-2,3-dihydroindol-6-yl]benzamide

Formula:C36H28N2O2 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[1-benzoyl-2-phenyl-5-[(E)-2-phenylethenyl]-2,3-dihydroindol-6-yl]benzamide is not a drug-like molecule.

MolName	N-[1-benzoyl-2-phenyl-5-[(E)-2-phenylethenyl]-2,3-dihydroindol-6-yl]benzamide
MolecularFormula	C36H28N2O2
Smiles	O=C(c1ccccc1)Nc1cc(N(C(C2)c3ccccc3)C(c3ccccc3)=O)c2cc1/C=C/c1ccccc1
InChI	InChI=1S/C36H28N2O2/c39-35(28-17-9-3-10-18-28)37-32-25-34-31(23-30(32)22-21-26-13-5-1-6-14-26)24-33(27-15-7-2-8-16-27)38(34)36(40)29-19-11-4-12-20-29/h1-23,25,33H,24H2,(H,37,39)/t33-/m0/s1
InChIK	IEMHOPBOULFZNB-XIFFEERXSA-N
TotalMolweight	520.63
Molweight	520.63
MonoisotopicMass	520.215078
CLogP	8.0646
CLogS	-8.195
H Acceptors	4
H Donors	1
TotalSurfaceArea	408.82
Relative PSA	0.10051
PolarSurfaceArea	49.41
Druglikeness	2.7028
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.4
Fragments	1
Non HAtoms	40
NonCHAtoms	4
Electronegative Atoms	4
StereoCenters	1
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	30
Sp3Atoms	2
Symmetricatoms	8
Amides	2
StereoCon	racemate

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