(E)-1-[4-(1-phenacylbenzimidazol-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one

Formula:C28H26N4O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[4-(1-phenacylbenzimidazol-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[4-(1-phenacylbenzimidazol-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one
MolecularFormula	C28H26N4O2
Smiles	O=C(Cn1c(N(CC2)CCN2C(/C=C/c2ccccc2)=O)nc2c1cccc2)c1ccccc1
InChI	InChI=1S/C28H26N4O2/c33-26(23-11-5-2-6-12-23)21-32-25-14-8-7-13-24(25)29-28(32)31-19-17-30(18-20-31)27(34)16-15-22-9-3-1-4-10-22/h1-16H,17-21H2
InChIK	ACGDBYBDYPPQOD-UHFFFAOYSA-N
TotalMolweight	450.54
Molweight	450.54
MonoisotopicMass	450.205576
CLogP	4.1792
CLogS	-4.509
H Acceptors	6
TotalSurfaceArea	353.24
Relative PSA	0.14443
PolarSurfaceArea	58.44
Druglikeness	6.5269
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	5
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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