(E)-2-cyano-N-(furan-2-ylmethyl)-3-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]prop-2-enamide

Formula:C31H24N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-N-(furan-2-ylmethyl)-3-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-2-cyano-N-(furan-2-ylmethyl)-3-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]prop-2-enamide
MolecularFormula	C31H24N4O3
Smiles	N#C/C(/C(NCc1ccco1)=O)=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1OCc1ccccc1
InChI	InChI=1S/C31H24N4O3/c32-19-25(31(36)33-20-29-12-7-17-37-29)18-26-21-35(27-10-5-2-6-11-27)34-30(26)24-13-15-28(16-14-24)38-22-23-8-3-1-4-9-23/h1-18,21H,20,22H2,(H,33,36)
InChIK	RHIXJKPNKAODNS-UHFFFAOYSA-N
TotalMolweight	500.557
Molweight	500.557
MonoisotopicMass	500.184841
CLogP	4.1535
CLogS	-6.122
H Acceptors	7
H Donors	1
TotalSurfaceArea	403.1
Relative PSA	0.19849
PolarSurfaceArea	93.08
Druglikeness	0.42242
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.52632
Fragments	1
Non HAtoms	38
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	3
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	2
StereoCon

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