MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02493654

Type: Neutral
Formula: C₁₀H₁₈O

SMILES:

OC1CC2(C(C2)C1C)C(C)C

InChI:

InChI=1/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3/t7-,8-,9-,10+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.119 kcal/mol

Physical Properties
Molecular Weight: 154.253 g/mol	logS: -2.50453	SlogP: 2.0494	Reactive groups: 0

Topological Properties
Globularity: 0.320031	Sterimol/B1: 2.25583	Sterimol/B2: 2.57395	Sterimol/B3: 4.84682
Sterimol/B4: 4.96273	Sterimol/L: 9.92933

Surface and Volume Properties
Accessible surface: 354.876	Positive charged surface: 260.833	Negative charged surface: 94.0423	Volume: 177.75
Hydrophobic surface: 238.959	Hydrophilic surface: 115.917

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 4

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.