MMsINC Database Search


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MMsINC code: MMs02227862

Type: Neutral
Formula: C₁₈H₃₂O₂

SMILES:

O(C(=O)CCCCCC1CCCCC1)C1CCCCC1

InChI:

InChI=1/C18H32O2/c19-18(20-17-13-7-3-8-14-17)15-9-2-6-12-16-10-4-1-5-11-16/h16-17H,1-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=18.0457 kcal/mol

Physical Properties
Molecular Weight: 280.452 g/mol	logS: -6.21392	SlogP: 5.3931	Reactive groups: 1

Topological Properties
Globularity: 0.0244845	Sterimol/B1: 3.16557	Sterimol/B2: 3.25654	Sterimol/B3: 3.37626
Sterimol/B4: 4.68625	Sterimol/L: 19.8911

Surface and Volume Properties
Accessible surface: 605.837	Positive charged surface: 491.197	Negative charged surface: 114.64	Volume: 313
Hydrophobic surface: 574.099	Hydrophilic surface: 31.738

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.