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MMsINC code: MMs00844461

Type: Neutral
Formula: C₁₅H₁₃NO₃

SMILES:

OC(=O)c1ccccc1NC(=O)c1ccc(cc1)C

InChI:

InChI=1/C15H13NO3/c1-10-6-8-11(9-7-10)14(17)16-13-5-3-2-4-12(13)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.9956 kcal/mol

Physical Properties
Molecular Weight: 255.273 g/mol	logS: -3.79819	SlogP: 2.94552	Reactive groups: 0

Topological Properties
Globularity: 0.0170252	Sterimol/B1: 2.49647	Sterimol/B2: 2.59038	Sterimol/B3: 4.81039
Sterimol/B4: 4.86367	Sterimol/L: 15.1838

Surface and Volume Properties
Accessible surface: 475.972	Positive charged surface: 267.885	Negative charged surface: 208.088	Volume: 243.5
Hydrophobic surface: 362.167	Hydrophilic surface: 113.805

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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

MMs00844462
CHEMDIV-ZINC00225753