MMsINC Database Search


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MMsINC code: MMs00014266

Type: Neutral
Formula: C₁₀H₁₀O

SMILES:

o1c2c(cc1CC)cccc2

InChI:

InChI=1/C10H10O/c1-2-9-7-8-5-3-4-6-10(8)11-9/h3-7H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.2929 kcal/mol

Physical Properties
Molecular Weight: 146.189 g/mol	logS: -3.34537	SlogP: 2.99517	Reactive groups: 0

Topological Properties
Globularity: 0.0532099	Sterimol/B1: 2.07349	Sterimol/B2: 3.43483	Sterimol/B3: 3.83767
Sterimol/B4: 4.07121	Sterimol/L: 11.6504

Surface and Volume Properties
Accessible surface: 347.654	Positive charged surface: 215.592	Negative charged surface: 126.667	Volume: 154.125
Hydrophobic surface: 313.848	Hydrophilic surface: 33.806

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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.