(E)-2-(1H-benzimidazol-2-yl)-3-[3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]prop-2-enenitrile

Formula:C32H22N5OF Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1H-benzimidazol-2-yl)-3-[3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-3-[3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]prop-2-enenitrile
MolecularFormula	C32H22N5OF
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc(cccc2)c2F)c1
InChI	InChI=1S/C32H22FN5O/c33-28-14-5-4-9-23(28)21-39-27-13-8-10-22(18-27)31-25(20-38(37-31)26-11-2-1-3-12-26)17-24(19-34)32-35-29-15-6-7-16-30(29)36-32/h1-18,20H,21H2,(H,35,36)
InChIK	ANDCVLNDJFADFS-UHFFFAOYSA-N
TotalMolweight	511.559
Molweight	511.559
MonoisotopicMass	511.180838
CLogP	5.1896
CLogS	-6.292
H Acceptors	6
H Donors	1
TotalSurfaceArea	399.72
Relative PSA	0.16602
PolarSurfaceArea	79.52
Druglikeness	-2.8914
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46154
Fragments	1
Non HAtoms	39
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	32
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	4
BasicNitrogens	1
StereoCon

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