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MMsINC code: MMs03210091

Type: Neutral
Formula: C₁₅H₁₃NO₃

SMILES:

OC(=O)c1ccccc1Nc1cc(ccc1)C(=O)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.1558 kcal/mol

Physical Properties
Molecular Weight: 255.273 g/mol	logS: -3.28687	SlogP: 3.331	Reactive groups: 0

Topological Properties
Globularity: 0.109869	Sterimol/B1: 3.67859	Sterimol/B2: 4.01557	Sterimol/B3: 4.21241
Sterimol/B4: 5.13703	Sterimol/L: 14.7357

Surface and Volume Properties
Accessible surface: 468.867	Positive charged surface: 272.1	Negative charged surface: 196.767	Volume: 241.5
Hydrophobic surface: 332.733	Hydrophilic surface: 136.134

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

MMs03210092
PUBCHEM-ZINC05138098