MMsINC Database Search


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MMsINC code: MMs00002643

Type: Neutral
Formula: C₁₃H₁₂O₂

SMILES:

O(Cc1ccccc1)c1ccc(O)cc1

InChI:

InChI=1/C13H12O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,14H,10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.6674 kcal/mol

Physical Properties
Molecular Weight: 200.237 g/mol	logS: -2.84121	SlogP: 3.2376	Reactive groups: 0

Topological Properties
Globularity: 0.0801135	Sterimol/B1: 3.59594	Sterimol/B2: 3.60882	Sterimol/B3: 3.69434
Sterimol/B4: 3.89071	Sterimol/L: 14.6944

Surface and Volume Properties
Accessible surface: 432.013	Positive charged surface: 244.289	Negative charged surface: 187.724	Volume: 204.125
Hydrophobic surface: 371.442	Hydrophilic surface: 60.571

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.