MMsINC Database Search


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MMsINC code: MMs00007456

Type: Neutral
Formula: C₁₇H₁₂O₃

SMILES:

O(C(=O)c1ccc2c(cccc2)c1O)c1ccccc1

InChI:

InChI=1/C17H12O3/c18-16-14-9-5-4-6-12(14)10-11-15(16)17(19)20-13-7-2-1-3-8-13/h1-11,18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.227 kcal/mol

Physical Properties
Molecular Weight: 264.28 g/mol	logS: -5.01487	SlogP: 3.7646	Reactive groups: 0

Topological Properties
Globularity: 0.0436924	Sterimol/B1: 3.4146	Sterimol/B2: 3.50334	Sterimol/B3: 3.69685
Sterimol/B4: 4.68235	Sterimol/L: 16.3677

Surface and Volume Properties
Accessible surface: 487.86	Positive charged surface: 264.658	Negative charged surface: 214.293	Volume: 252.125
Hydrophobic surface: 426.64	Hydrophilic surface: 61.22

Pharmacophoric Properties
Hydrogen bond donors: 1	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.