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MMsINC code: MMs02447615

Type: Neutral
Formula: C₁₁H₁₈O₂

SMILES:

OC(=O)C1C2CCCCC2(CC1)C

InChI:

InChI=1/C11H18O2/c1-11-6-3-2-4-9(11)8(5-7-11)10(12)13/h8-9H,2-7H2,1H3,(H,12,13)/t8-,9-,11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.8533 kcal/mol

Physical Properties
Molecular Weight: 182.263 g/mol	logS: -3.39974	SlogP: 2.6775	Reactive groups: 0

Topological Properties
Globularity: 0.353851	Sterimol/B1: 2.1764	Sterimol/B2: 3.74994	Sterimol/B3: 4.88985
Sterimol/B4: 4.92817	Sterimol/L: 9.51098

Surface and Volume Properties
Accessible surface: 359.712	Positive charged surface: 268.806	Negative charged surface: 90.9057	Volume: 187.375
Hydrophobic surface: 273.423	Hydrophilic surface: 86.289

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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

MMs02447616
NCID-ZINC05201642