MMsINC Database Search


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MMsINC code: MMs00021049

Type: Neutral
Formula: C₁₃H₁₂O₂

SMILES:

O(Cc1ccccc1)c1ccccc1O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.5656 kcal/mol

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

Topological Properties
Globularity: 0.0892448	Sterimol/B1: 3.5774	Sterimol/B2: 3.69326	Sterimol/B3: 3.96089
Sterimol/B4: 4.11426	Sterimol/L: 14.1006

Surface and Volume Properties
Accessible surface: 432.12	Positive charged surface: 245.742	Negative charged surface: 186.378	Volume: 203.625
Hydrophobic surface: 375.553	Hydrophilic surface: 56.567

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.