MMsINC Database Search


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MMsINC code: MMs02339038

Type: Neutral
Formula: C₁₅H₈O₄

SMILES:

O1C2(OC(=O)c3c2cccc3)c2c(cccc2)C1=O

InChI:

InChI=1/C15H8O4/c16-13-9-5-1-3-7-11(9)15(18-13)12-8-4-2-6-10(12)14(17)19-15/h1-8H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.6816 kcal/mol

Physical Properties
Molecular Weight: 252.225 g/mol	logS: -4.24344	SlogP: 2.54	Reactive groups: 0

Topological Properties
Globularity: 0.239144	Sterimol/B1: 2.59166	Sterimol/B2: 3.79884	Sterimol/B3: 4.50821
Sterimol/B4: 4.95671	Sterimol/L: 12.1982

Surface and Volume Properties
Accessible surface: 432.13	Positive charged surface: 193.705	Negative charged surface: 238.425	Volume: 221.375
Hydrophobic surface: 301.182	Hydrophilic surface: 130.948

Pharmacophoric Properties
Hydrogen bond donors: 0	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.