MMsINC Database Search


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MMsINC code: MMs00015840

Type: Neutral
Formula: C₁₀H₁₂O

SMILES:

Oc1cc2CCCCc2cc1

InChI:

InChI=1/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-7,11H,1-4H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.262 kcal/mol

Physical Properties
Molecular Weight: 148.205 g/mol	logS: -2.89917	SlogP: 2.27094	Reactive groups: 0

Topological Properties
Globularity: 0.0729199	Sterimol/B1: 2.83001	Sterimol/B2: 3.03117	Sterimol/B3: 3.09209
Sterimol/B4: 4.95327	Sterimol/L: 10.4842

Surface and Volume Properties
Accessible surface: 341.763	Positive charged surface: 234.649	Negative charged surface: 107.115	Volume: 157
Hydrophobic surface: 289.653	Hydrophilic surface: 52.11

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.