MMsINC Database Search


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MMsINC code: MMs02676460

Type: Neutral
Formula: C₁₂H₁₂O₂

SMILES:

OC1C(=CC=CC1O)c1ccccc1

InChI:

InChI=1/C12H12O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8,11-14H/t11-,12+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.8389 kcal/mol

Physical Properties
Molecular Weight: 188.226 g/mol	logS: -2.12343	SlogP: 1.3616	Reactive groups: 0

Topological Properties
Globularity: 0.172357	Sterimol/B1: 3.35343	Sterimol/B2: 3.44685	Sterimol/B3: 3.61834
Sterimol/B4: 4.08543	Sterimol/L: 12.1197

Surface and Volume Properties
Accessible surface: 393.966	Positive charged surface: 248.198	Negative charged surface: 145.769	Volume: 188.625
Hydrophobic surface: 302.488	Hydrophilic surface: 91.478

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.