MMsINC Database Search


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MMsINC code: MMs02903852

Type: Neutral
Formula: C₁₁H₂₄O

SMILES:

OCCCCCCCCC(C)C

InChI:

InChI=1/C11H24O/c1-11(2)9-7-5-3-4-6-8-10-12/h11-12H,3-10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=7.66333 kcal/mol

Physical Properties
Molecular Weight: 172.312 g/mol	logS: -4.03874	SlogP: 3.3654	Reactive groups: 0

Topological Properties
Globularity: 0.0342565	Sterimol/B1: 2.10261	Sterimol/B2: 2.55174	Sterimol/B3: 3.32857
Sterimol/B4: 4.6011	Sterimol/L: 16.9077

Surface and Volume Properties
Accessible surface: 461.705	Positive charged surface: 381.184	Negative charged surface: 80.5204	Volume: 214.125
Hydrophobic surface: 367.396	Hydrophilic surface: 94.309

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.