MMsINC Database Search


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MMsINC code: MMs02381802

Type: Neutral
Formula: C₂₀H₃₀O₆

SMILES:

O(C(=O)c1ccccc1C(OCCOCCCC)=O)CCOCCCC

InChI:

InChI=1/C20H30O6/c1-3-5-11-23-13-15-25-19(21)17-9-7-8-10-18(17)20(22)26-16-14-24-12-6-4-2/h7-10H,3-6,11-16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.8743 kcal/mol

Physical Properties
Molecular Weight: 366.454 g/mol	logS: -4.52202	SlogP: 3.6336	Reactive groups: 0

Topological Properties
Globularity: 0.0614925	Sterimol/B1: 3.84537	Sterimol/B2: 3.90597	Sterimol/B3: 5.11738
Sterimol/B4: 5.82322	Sterimol/L: 23.2522

Surface and Volume Properties
Accessible surface: 761.801	Positive charged surface: 580.485	Negative charged surface: 181.317	Volume: 375.75
Hydrophobic surface: 655.64	Hydrophilic surface: 106.161

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.