MMsINC Database Search


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MMsINC code: MMs03917648

Type: Neutral
Formula: C₁₆H₂₆O₂

SMILES:

OCCCCCc1ccc(cc1)CCCCCO

InChI:

InChI=1/C16H26O2/c17-13-5-1-3-7-15-9-11-16(12-10-15)8-4-2-6-14-18/h9-12,17-18H,1-8,13-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.2939 kcal/mol

Physical Properties
Molecular Weight: 250.382 g/mol	logS: -3.51428	SlogP: 3.09674	Reactive groups: 0

Topological Properties
Globularity: 0.0295657	Sterimol/B1: 2.4202	Sterimol/B2: 2.94202	Sterimol/B3: 3.46535
Sterimol/B4: 4.81692	Sterimol/L: 21.4501

Surface and Volume Properties
Accessible surface: 584.559	Positive charged surface: 447.92	Negative charged surface: 136.639	Volume: 282.125
Hydrophobic surface: 475.158	Hydrophilic surface: 109.401

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.