MMsINC Database Search


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MMsINC code: MMs02327620

Type: Neutral
Formula: C₁₆H₃₀O₂

SMILES:

O(C(=O)CCCCCC1CCCCC1)CCCC

InChI:

InChI=1/C16H30O2/c1-2-3-14-18-16(17)13-9-5-8-12-15-10-6-4-7-11-15/h15H,2-14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=11.9952 kcal/mol

Physical Properties
Molecular Weight: 254.414 g/mol	logS: -5.78698	SlogP: 4.8605	Reactive groups: 1

Topological Properties
Globularity: 0.0196266	Sterimol/B1: 2.85997	Sterimol/B2: 3.21854	Sterimol/B3: 3.59033
Sterimol/B4: 4.13637	Sterimol/L: 20.9585

Surface and Volume Properties
Accessible surface: 581.861	Positive charged surface: 468.001	Negative charged surface: 113.859	Volume: 291.125
Hydrophobic surface: 519.597	Hydrophilic surface: 62.264

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.