MMsINC Database Search


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MMsINC code: MMs00014207

Type: Neutral
Formula: C₁₀H₁₀O

SMILES:

o1c2c(cccc2)c(C)c1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.3663 kcal/mol

Physical Properties
Molecular Weight: 146.189 g/mol	logS: -3.30407	SlogP: 3.04964	Reactive groups: 0

Topological Properties
Globularity: 0.0259212	Sterimol/B1: 2.26776	Sterimol/B2: 2.51207	Sterimol/B3: 2.52266
Sterimol/B4: 5.75828	Sterimol/L: 10.5762

Surface and Volume Properties
Accessible surface: 343.186	Positive charged surface: 195.105	Negative charged surface: 142.276	Volume: 157.125
Hydrophobic surface: 332.896	Hydrophilic surface: 10.29

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.