3-[[(E)-2-benzamido-3-phenylprop-2-enoyl]amino]-N-(3-hydroxypropyl)benzamide

Formula:C26H25N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[(E)-2-benzamido-3-phenylprop-2-enoyl]amino]-N-(3-hydroxypropyl)benzamide is a drug-like molecule.

MolName3-[[(E)-2-benzamido-3-phenylprop-2-enoyl]amino]-N-(3-hydroxypropyl)benzamide
MolecularFormulaC26H25N3O4
SmilesOCCCNC(c1cccc(NC(/C(/NC(c2ccccc2)=O)=C\c2ccccc2)=O)c1)=O
InChIInChI=1S/C26H25N3O4/c30-16-8-15-27-24(31)21-13-7-14-22(18-21)28-26(33)23(17-19-9-3-1-4-10-19)29-25(32)20-11-5-2-6-12-20/h1-7,9-14,17-18,30H,8,15-16H2,(H,27,31)(H,28,33)(H,29,32)
InChIKJKUSUWXNDPCFFL-UHFFFAOYSA-N
TotalMolweight443.502
Molweight443.502
MonoisotopicMass443.184507
CLogP3.7966
CLogS-4.941
H Acceptors7
H Donors4
TotalSurfaceArea352.75
Relative PSA0.2455
PolarSurfaceArea107.53
Druglikeness1.6304
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.54545
Fragments1
Non HAtoms33
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond9
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms4
Symmetricatoms4
Amides3
StereoCon

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