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MMsINC code: MMs03925245

Type: Ionized
Formula: C₂₃H₂₆O₄-2

SMILES:

O=C([O-])CCCCc1ccc(cc1)Cc1ccc(cc1)CCCCC(=O)[O-]

InChI:

InChI=1/C23H28O4/c24-22(25)7-3-1-5-18-9-13-20(14-10-18)17-21-15-11-19(12-16-21)6-2-4-8-23(26)27/h9-16H,1-8,17H2,(H,24,25)(H,26,27)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.7505 kcal/mol

Physical Properties
Molecular Weight: 366.457 g/mol	logS: -5.90862	SlogP: 2.20271	Reactive groups: 0

Topological Properties
Globularity: 0.0333199	Sterimol/B1: 2.44348	Sterimol/B2: 4.21606	Sterimol/B3: 4.58013
Sterimol/B4: 4.84867	Sterimol/L: 25.5407

Surface and Volume Properties
Accessible surface: 715.75	Positive charged surface: 429.487	Negative charged surface: 286.263	Volume: 379.75
Hydrophobic surface: 516.381	Hydrophilic surface: 199.369

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 4	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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Parent related molecule:

MMs03925244
SIAL-ZINC04787968