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MMsINC code: MMs00748956

Type: Neutral
Formula: C₂₃H₁₉NO₄

SMILES:

o1cccc1\C=C(\NC(=O)\C=C\c1ccccc1)/C(OCc1ccccc1)=O

InChI:

InChI=1/C23H19NO4/c25-22(14-13-18-8-3-1-4-9-18)24-21(16-20-12-7-15-27-20)23(26)28-17-19-10-5-2-6-11-19/h1-16H,17H2,(H,24,25)/b14-13+,21-16-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.1943 kcal/mol

Physical Properties
Molecular Weight: 373.408 g/mol	logS: -6.30374	SlogP: 4.4599	Reactive groups: 0

Topological Properties
Globularity: 0.041463	Sterimol/B1: 3.38211	Sterimol/B2: 3.5247	Sterimol/B3: 4.02673
Sterimol/B4: 8.63665	Sterimol/L: 20.6075

Surface and Volume Properties
Accessible surface: 697.239	Positive charged surface: 366.986	Negative charged surface: 330.253	Volume: 365
Hydrophobic surface: 625.997	Hydrophilic surface: 71.242

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.