MMsINC Database Search


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MMsINC code: MMs03147467

Type: Neutral
Formula: C₁₁H₁₀O₃

SMILES:

Oc1c2cc(ccc2ccc1O)CO

InChI:

InChI=1/C11H10O3/c12-6-7-1-2-8-3-4-10(13)11(14)9(8)5-7/h1-5,12-14H,6H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.7807 kcal/mol

Physical Properties
Molecular Weight: 190.198 g/mol	logS: -2.30988	SlogP: 2.0097	Reactive groups: 0

Topological Properties
Globularity: 0.0291302	Sterimol/B1: 2.34649	Sterimol/B2: 2.55541	Sterimol/B3: 2.78508
Sterimol/B4: 6.22251	Sterimol/L: 11.7412

Surface and Volume Properties
Accessible surface: 384.506	Positive charged surface: 234.669	Negative charged surface: 138.767	Volume: 179.75
Hydrophobic surface: 227.887	Hydrophilic surface: 156.619

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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.