(E)-3-[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile

Formula:C30H25N4O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile
MolecularFormula	C30H25N4O3Cl
Smiles	N#C/C(/C(N1CCOCC1)=O)=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1OCc(cc1)ccc1Cl
InChI	InChI=1S/C30H25ClN4O3/c31-26-10-6-22(7-11-26)21-38-28-12-8-23(9-13-28)29-25(20-35(33-29)27-4-2-1-3-5-27)18-24(19-32)30(36)34-14-16-37-17-15-34/h1-13,18,20H,14-17,21H2
InChIK	VEBUJLVMPMARPK-UHFFFAOYSA-N
TotalMolweight	525.007
Molweight	525.007
MonoisotopicMass	524.161518
CLogP	4.3882
CLogS	-5.558
H Acceptors	7
TotalSurfaceArea	405.69
Relative PSA	0.16759
PolarSurfaceArea	80.38
Druglikeness	1.0954
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.52632
Fragments	1
Non HAtoms	38
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	7
Symmetricatoms	8
Amides	1
Aromatic Nitrogens	2
StereoCon

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