MMsINC Database Search


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MMsINC code: MMs03091186

Type: Neutral
Formula: C₁₅H₁₀O₄

SMILES:

Oc1c2c(cc(O)c1C)C(=O)c1c(cccc1)C2=O

InChI:

InChI=1/C15H10O4/c1-7-11(16)6-10-12(13(7)17)15(19)9-5-3-2-4-8(9)14(10)18/h2-6,16-17H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.5015 kcal/mol

Physical Properties
Molecular Weight: 254.241 g/mol	logS: -3.32157	SlogP: 2.18162	Reactive groups: 0

Topological Properties
Globularity: 0.00971507	Sterimol/B1: 2.06837	Sterimol/B2: 2.50502	Sterimol/B3: 3.42255
Sterimol/B4: 5.36242	Sterimol/L: 13.4835

Surface and Volume Properties
Accessible surface: 433.403	Positive charged surface: 248.665	Negative charged surface: 184.739	Volume: 224.625
Hydrophobic surface: 291.859	Hydrophilic surface: 141.544

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.