MMsINC Database Search


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MMsINC code: MMs03262483

Type: Neutral
Formula: C₁₄H₃₀O₂

SMILES:

OC(CCCCC(O)(CC)CC)(CC)CC

InChI:

InChI=1/C14H30O2/c1-5-13(15,6-2)11-9-10-12-14(16,7-3)8-4/h15-16H,5-12H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.3944 kcal/mol

Physical Properties
Molecular Weight: 230.392 g/mol	logS: -2.10846	SlogP: 3.649	Reactive groups: 0

Topological Properties
Globularity: 0.103973	Sterimol/B1: 2.23083	Sterimol/B2: 2.43731	Sterimol/B3: 4.63009
Sterimol/B4: 5.92638	Sterimol/L: 13.6449

Surface and Volume Properties
Accessible surface: 512.815	Positive charged surface: 381.271	Negative charged surface: 131.544	Volume: 265.75
Hydrophobic surface: 373.968	Hydrophilic surface: 138.847

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