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MMsINC code: MMs03468633

Type: Neutral
Formula: C₁₇H₃₂O₂

SMILES:

OC(=O)C(CCCC1CCCCC1)CCCCCC

InChI:

InChI=1/C17H32O2/c1-2-3-4-8-13-16(17(18)19)14-9-12-15-10-6-5-7-11-15/h15-16H,2-14H2,1H3,(H,18,19)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=18.6257 kcal/mol

Physical Properties
Molecular Weight: 268.441 g/mol	logS: -6.5931	SlogP: 5.4082	Reactive groups: 0

Topological Properties
Globularity: 0.0263937	Sterimol/B1: 2.65813	Sterimol/B2: 3.36955	Sterimol/B3: 4.04006
Sterimol/B4: 4.19176	Sterimol/L: 19.9623

Surface and Volume Properties
Accessible surface: 586.83	Positive charged surface: 472.891	Negative charged surface: 113.939	Volume: 305.375
Hydrophobic surface: 494.082	Hydrophilic surface: 92.748

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

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs03468634
PUBCHEM-ZINC05973141