MMsINC Database Search


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

MMsINC code: MMs02825480

Type: Neutral
Formula: C₁₄H₃₀O₂

SMILES:

O(C(CC(CC(C)C)C)CC(C)C)CCO

InChI:

InChI=1/C14H30O2/c1-11(2)8-13(5)10-14(9-12(3)4)16-7-6-15/h11-15H,6-10H2,1-5H3/t13-,14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.6177 kcal/mol

Physical Properties
Molecular Weight: 230.392 g/mol	logS: -4.19514	SlogP: 3.4823	Reactive groups: 0

Topological Properties
Globularity: 0.110271	Sterimol/B1: 3.2327	Sterimol/B2: 3.84667	Sterimol/B3: 4.72588
Sterimol/B4: 4.93957	Sterimol/L: 14.7116

Surface and Volume Properties
Accessible surface: 517.294	Positive charged surface: 399.68	Negative charged surface: 117.615	Volume: 271.875
Hydrophobic surface: 376.545	Hydrophilic surface: 140.749

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.