MMsINC Database Search


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MMsINC code: MMs00011878

Type: Neutral
Formula: C₁₂H₁₀O

SMILES:

Oc1cc(ccc1)-c1ccccc1

InChI:

InChI=1/C12H10O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,13H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.9364 kcal/mol

Physical Properties
Molecular Weight: 170.211 g/mol	logS: -3.44931	SlogP: 3.0592	Reactive groups: 0

Topological Properties
Globularity: 0.00353497	Sterimol/B1: 2.13284	Sterimol/B2: 2.24305	Sterimol/B3: 3.59415
Sterimol/B4: 4.24831	Sterimol/L: 12.112

Surface and Volume Properties
Accessible surface: 377.323	Positive charged surface: 185.181	Negative charged surface: 181.071	Volume: 178
Hydrophobic surface: 324.947	Hydrophilic surface: 52.376

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.