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MMsINC code: MMs02126840

Type: Neutral
Formula: C₁₅H₁₂O₃

SMILES:

OC(=O)c1ccccc1C(=O)c1ccccc1C

InChI:

InChI=1/C15H12O3/c1-10-6-2-3-7-11(10)14(16)12-8-4-5-9-13(12)15(17)18/h2-9H,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.9639 kcal/mol

Physical Properties
Molecular Weight: 240.258 g/mol	logS: -3.90101	SlogP: 2.92422	Reactive groups: 0

Topological Properties
Globularity: 0.224216	Sterimol/B1: 2.44994	Sterimol/B2: 2.58823	Sterimol/B3: 4.97743
Sterimol/B4: 5.95994	Sterimol/L: 12.5016

Surface and Volume Properties
Accessible surface: 438.434	Positive charged surface: 242.96	Negative charged surface: 195.473	Volume: 231.25
Hydrophobic surface: 346.288	Hydrophilic surface: 92.146

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02126841
MAYBRIDGE-ZINC00066672