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

Formula:C18H15N3O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-(2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl)-3-phenylprop-2-enamide is a drug-like molecule.

MolName	(E)-N-(2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl)-3-phenylprop-2-enamide
MolecularFormula	C18H15N3O2
Smiles	O=C(/C=C/c1ccccc1)NC(C=Nc(cccc1)c1N1)C1=O
InChI	InChI=1S/C18H15N3O2/c22-17(11-10-13-6-2-1-3-7-13)20-16-12-19-14-8-4-5-9-15(14)21-18(16)23/h1-12,16H,(H,20,22)(H,21,23)/t16-/m0/s1
InChIK	LSUDSJYYPAHXFJ-INIZCTEOSA-N
TotalMolweight	305.336
Molweight	305.336
MonoisotopicMass	305.116427
CLogP	1.4764
CLogS	-3.483
H Acceptors	5
H Donors	2
TotalSurfaceArea	241.7
Relative PSA	0.25035
PolarSurfaceArea	70.56
Druglikeness	2.8433
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
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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