MMsINC Database Search


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MMsINC code: MMs01725383

Type: Neutral
Formula: C₁₀H₂₀O

SMILES:

OC1CC(CCC1C(C)C)C

InChI:

InChI=1/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.6597 kcal/mol

Physical Properties
Molecular Weight: 156.269 g/mol	logS: -2.60657	SlogP: 2.4395	Reactive groups: 0

Topological Properties
Globularity: 0.137042	Sterimol/B1: 2.73405	Sterimol/B2: 3.53469	Sterimol/B3: 3.54164
Sterimol/B4: 3.70974	Sterimol/L: 11.0207

Surface and Volume Properties
Accessible surface: 368.405	Positive charged surface: 284.684	Negative charged surface: 83.7211	Volume: 183.375
Hydrophobic surface: 273.103	Hydrophilic surface: 95.302

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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.