MMsINC Database Search


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MMsINC code: MMs02371231

Type: Neutral
Formula: C₉H₁₀O

SMILES:

Oc1c2CCCc2ccc1

InChI:

InChI=1/C9H10O/c10-9-6-2-4-7-3-1-5-8(7)9/h2,4,6,10H,1,3,5H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.9911 kcal/mol

Physical Properties
Molecular Weight: 134.178 g/mol	logS: -2.0705	SlogP: 1.88084	Reactive groups: 0

Topological Properties
Globularity: 0.0750392	Sterimol/B1: 2.75498	Sterimol/B2: 2.80031	Sterimol/B3: 3.07931
Sterimol/B4: 5.33104	Sterimol/L: 9.65597

Surface and Volume Properties
Accessible surface: 323.592	Positive charged surface: 213.51	Negative charged surface: 110.082	Volume: 141.875
Hydrophobic surface: 276.37	Hydrophilic surface: 47.222

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.