MMsINC Database Search


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MMsINC code: MMs02242658

Type: Neutral
Formula: C₁₈H₂₆O₂

SMILES:

O(C(=O)CCC1CCCCC1)CCCc1ccccc1

InChI:

InChI=1/C18H26O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.8602 kcal/mol

Physical Properties
Molecular Weight: 274.404 g/mol	logS: -5.22826	SlogP: 4.52287	Reactive groups: 1

Topological Properties
Globularity: 0.0335349	Sterimol/B1: 3.13597	Sterimol/B2: 3.19755	Sterimol/B3: 3.97667
Sterimol/B4: 4.68473	Sterimol/L: 19.5567

Surface and Volume Properties
Accessible surface: 587.483	Positive charged surface: 418.375	Negative charged surface: 169.107	Volume: 298.125
Hydrophobic surface: 547.71	Hydrophilic surface: 39.773

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: 1

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Ions/Tautomers related molecules: no related molecules available.