(E)-3-[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]-2-cyano-N-cyclohexylprop-2-enamide

Formula:C32H29N4O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]-2-cyano-N-cyclohexylprop-2-enamide is not a drug-like molecule.

MolName	(E)-3-[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]-2-cyano-N-cyclohexylprop-2-enamide
MolecularFormula	C32H29N4O2Cl
Smiles	N#C/C(/C(NC1CCCCC1)=O)=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1OCc(cc1)ccc1Cl
InChI	InChI=1S/C32H29ClN4O2/c33-27-15-11-23(12-16-27)22-39-30-17-13-24(14-18-30)31-26(21-37(36-31)29-9-5-2-6-10-29)19-25(20-34)32(38)35-28-7-3-1-4-8-28/h2,5-6,9-19,21,28H,1,3-4,7-8,22H2,(H,35,38)
InChIK	UNUFJJZMVMFXFV-UHFFFAOYSA-N
TotalMolweight	537.061
Molweight	537.061
MonoisotopicMass	536.197903
CLogP	5.7084
CLogS	-7.427
H Acceptors	6
H Donors	1
TotalSurfaceArea	423.11
Relative PSA	0.15575
PolarSurfaceArea	79.94
Druglikeness	-3.933
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.53846
Fragments	1
Non HAtoms	39
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	8
Symmetricatoms	8
Amides	1
Aromatic Nitrogens	2
StereoCon

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