MMsINC Database Search


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MMsINC code: MMs02470417

Type: Neutral
Formula: C₂₃H₄₀O₅

SMILES:

O(CCOCCOCCOCCO)c1ccc(cc1)CCCCCCC(C)C

InChI:

InChI=1/C23H40O5/c1-21(2)7-5-3-4-6-8-22-9-11-23(12-10-22)28-20-19-27-18-17-26-16-15-25-14-13-24/h9-12,21,24H,3-8,13-20H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.0443 kcal/mol

Physical Properties
Molecular Weight: 396.568 g/mol	logS: -6.25632	SlogP: 4.25647	Reactive groups: 0

Topological Properties
Globularity: 0.0297161	Sterimol/B1: 2.99296	Sterimol/B2: 4.38611	Sterimol/B3: 5.04158
Sterimol/B4: 5.89619	Sterimol/L: 27.4555

Surface and Volume Properties
Accessible surface: 861.269	Positive charged surface: 705.412	Negative charged surface: 155.857	Volume: 431.75
Hydrophobic surface: 750.255	Hydrophilic surface: 111.014

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.