MMsINC Database Search


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MMsINC code: MMs02311568

Type: Neutral
Formula: C₁₁H₁₀O

SMILES:

Oc1ccc2c(cccc2)c1C

InChI:

InChI=1/C11H10O/c1-8-10-5-3-2-4-9(10)6-7-11(8)12/h2-7,12H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.6349 kcal/mol

Physical Properties
Molecular Weight: 158.2 g/mol	logS: -3.06128	SlogP: 2.85382	Reactive groups: 0

Topological Properties
Globularity: 0.0207091	Sterimol/B1: 2.12514	Sterimol/B2: 2.18919	Sterimol/B3: 2.50929
Sterimol/B4: 6.40785	Sterimol/L: 10.6279

Surface and Volume Properties
Accessible surface: 345.946	Positive charged surface: 193.569	Negative charged surface: 141.756	Volume: 162.125
Hydrophobic surface: 302.48	Hydrophilic surface: 43.466

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.