MMsINC Database Search


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MMsINC code: MMs02423186

Type: Neutral
Formula: C₁₃H₂₆O

SMILES:

OCC1CCCCCCCCCCC1

InChI:

InChI=1/C13H26O/c14-12-13-10-8-6-4-2-1-3-5-7-9-11-13/h13-14H,1-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.8098 kcal/mol

Physical Properties
Molecular Weight: 198.35 g/mol	logS: -4.65369	SlogP: 3.8996	Reactive groups: 0

Topological Properties
Globularity: 0.153996	Sterimol/B1: 2.33567	Sterimol/B2: 3.67655	Sterimol/B3: 4.8019
Sterimol/B4: 5.26135	Sterimol/L: 11.7105

Surface and Volume Properties
Accessible surface: 422.626	Positive charged surface: 336.448	Negative charged surface: 86.178	Volume: 233.5
Hydrophobic surface: 376.658	Hydrophilic surface: 45.968

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.