MMsINC Database Search


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MMsINC code: MMs02248245

Type: Neutral
Formula: C₁₀H₁₄O

SMILES:

Oc1cc(C)c(C)c(C)c1C

InChI:

InChI=1/C10H14O/c1-6-5-10(11)9(4)8(3)7(6)2/h5,11H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.6554 kcal/mol

Physical Properties
Molecular Weight: 150.221 g/mol	logS: -2.60516	SlogP: 2.62588	Reactive groups: 0

Topological Properties
Globularity: 0.0604717	Sterimol/B1: 2.50789	Sterimol/B2: 2.57723	Sterimol/B3: 3.44308
Sterimol/B4: 5.31911	Sterimol/L: 9.66236

Surface and Volume Properties
Accessible surface: 352.028	Positive charged surface: 223.142	Negative charged surface: 128.886	Volume: 167.625
Hydrophobic surface: 307.98	Hydrophilic surface: 44.048

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.