MMsINC Database Search


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MMsINC code: MMs00015336

Type: Neutral
Formula: C₁₂H₂₄O

SMILES:

OC1CCCCCCCCCCC1

InChI:

InChI=1/C12H24O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h12-13H,1-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.6603 kcal/mol

Physical Properties
Molecular Weight: 184.323 g/mol	logS: -3.95046	SlogP: 3.652	Reactive groups: 0

Topological Properties
Globularity: 0.242248	Sterimol/B1: 2.93328	Sterimol/B2: 3.41435	Sterimol/B3: 4.07371
Sterimol/B4: 5.94856	Sterimol/L: 10.0159

Surface and Volume Properties
Accessible surface: 390.393	Positive charged surface: 310.747	Negative charged surface: 79.6455	Volume: 215
Hydrophobic surface: 361.413	Hydrophilic surface: 28.98

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

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.