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MMsINC code: MMs02547042

Type: Neutral
Formula: C₁₅H₁₂O₄

SMILES:

O1c2cc(ccc2OC1)-c1ccccc1CC(O)=O

InChI:

InChI=1/C15H12O4/c16-15(17)8-10-3-1-2-4-12(10)11-5-6-13-14(7-11)19-9-18-13/h1-7H,8-9H2,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.115 kcal/mol

Physical Properties
Molecular Weight: 256.257 g/mol	logS: -3.79723	SlogP: 2.70937	Reactive groups: 0

Topological Properties
Globularity: 0.135097	Sterimol/B1: 3.53046	Sterimol/B2: 3.60669	Sterimol/B3: 3.99784
Sterimol/B4: 6.60713	Sterimol/L: 13.4694

Surface and Volume Properties
Accessible surface: 455.614	Positive charged surface: 280.121	Negative charged surface: 174.102	Volume: 234.5
Hydrophobic surface: 317.083	Hydrophilic surface: 138.531

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

MMs02547043
OAKWOOD-ZINC02581018