MMsINC Database Search


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

MMsINC code: MMs00021140

Type: Neutral
Formula: C₁₀H₁₈O

SMILES:

OC1CC2CCC1(C)C2(C)C

InChI:

InChI=1/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.0619 kcal/mol

Physical Properties
Molecular Weight: 154.253 g/mol	logS: -2.19108	SlogP: 2.1935	Reactive groups: 0

Topological Properties
Globularity: 0.7969	Sterimol/B1: 2.52427	Sterimol/B2: 2.54362	Sterimol/B3: 5.57601
Sterimol/B4: 5.62984	Sterimol/L: 8.64121

Surface and Volume Properties
Accessible surface: 340.331	Positive charged surface: 253.865	Negative charged surface: 86.4658	Volume: 175.25
Hydrophobic surface: 253.89	Hydrophilic surface: 86.441

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.