(E)-N-(8-chloro-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl)-3-phenylprop-2-enamide

Formula:C18H14N3O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-(8-chloro-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl)-3-phenylprop-2-enamide is a drug-like molecule.

MolName	(E)-N-(8-chloro-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl)-3-phenylprop-2-enamide
MolecularFormula	C18H14N3O2Cl
Smiles	O=C(/C=C/c1ccccc1)NC(C=Nc(ccc(Cl)c1)c1N1)C1=O
InChI	InChI=1S/C18H14ClN3O2/c19-13-7-8-14-15(10-13)22-18(24)16(11-20-14)21-17(23)9-6-12-4-2-1-3-5-12/h1-11,16H,(H,21,23)(H,22,24)/t16-/m1/s1
InChIK	LICPWLGCNWVBNL-MRXNPFEDSA-N
TotalMolweight	339.781
Molweight	339.781
MonoisotopicMass	339.077454
CLogP	2.0824
CLogS	-4.219
H Acceptors	5
H Donors	2
TotalSurfaceArea	257.12
Relative PSA	0.23534
PolarSurfaceArea	70.56
Druglikeness	2.8867
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
Amides	2
StereoCon	racemate

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