MMsINC Database Search


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MMsINC code: MMs00008347

Type: Neutral
Formula: C₁₁H₁₀O

SMILES:

O(C)c1cc2c(cc1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.7386 kcal/mol

Physical Properties
Molecular Weight: 158.2 g/mol	logS: -3.31314	SlogP: 2.8484	Reactive groups: 0

Topological Properties
Globularity: 0.00969103	Sterimol/B1: 2.37466	Sterimol/B2: 2.37544	Sterimol/B3: 3.79473
Sterimol/B4: 4.29092	Sterimol/L: 12.0876

Surface and Volume Properties
Accessible surface: 356.121	Positive charged surface: 216.244	Negative charged surface: 128.806	Volume: 167.125
Hydrophobic surface: 345.766	Hydrophilic surface: 10.355

Pharmacophoric Properties
Hydrogen bond donors: 0	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.