MMsINC Database Search


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MMsINC code: MMs02896216

Type: Neutral
Formula: C₁₁H₁₈O

SMILES:

o1cccc1CC(CC(C)C)C

InChI:

InChI=1/C11H18O/c1-9(2)7-10(3)8-11-5-4-6-12-11/h4-6,9-10H,7-8H2,1-3H3/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.0312 kcal/mol

Physical Properties
Molecular Weight: 166.264 g/mol	logS: -4.07479	SlogP: 3.50427	Reactive groups: 0

Topological Properties
Globularity: 0.115206	Sterimol/B1: 2.0606	Sterimol/B2: 2.76042	Sterimol/B3: 4.11213
Sterimol/B4: 5.07115	Sterimol/L: 12.8405

Surface and Volume Properties
Accessible surface: 399.846	Positive charged surface: 256.365	Negative charged surface: 143.481	Volume: 192.625
Hydrophobic surface: 332.069	Hydrophilic surface: 67.777

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

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.