benzyl 3-[[(E)-2-benzamido-3-phenylprop-2-enoyl]amino]propanoate

Formula:C26H24N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none benzyl 3-[[(E)-2-benzamido-3-phenylprop-2-enoyl]amino]propanoate is a drug-like molecule.

MolNamebenzyl 3-[[(E)-2-benzamido-3-phenylprop-2-enoyl]amino]propanoate
MolecularFormulaC26H24N2O4
SmilesO=C(CCNC(/C(/NC(c1ccccc1)=O)=C\c1ccccc1)=O)OCc1ccccc1
InChIInChI=1S/C26H24N2O4/c29-24(32-19-21-12-6-2-7-13-21)16-17-27-26(31)23(18-20-10-4-1-5-11-20)28-25(30)22-14-8-3-9-15-22/h1-15,18H,16-17,19H2,(H,27,31)(H,28,30)
InChIKQVPDWKWMGQDIBK-UHFFFAOYSA-N
TotalMolweight428.487
Molweight428.487
MonoisotopicMass428.173608
CLogP4.1455
CLogS-4.862
H Acceptors6
H Donors2
TotalSurfaceArea344.94
Relative PSA0.20885
PolarSurfaceArea84.5
Druglikeness2.2445
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.5625
Fragments1
Non HAtoms32
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond10
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms4
Symmetricatoms6
Amides2
StereoCon

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