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MMsINC code: MMs03925244

Type: Neutral
Formula: C₂₃H₂₈O₄

SMILES:

OC(=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)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.6224 kcal/mol

Physical Properties
Molecular Weight: 368.473 g/mol	logS: -5.38772	SlogP: 4.87211	Reactive groups: 0

Topological Properties
Globularity: 0.0295746	Sterimol/B1: 2.42088	Sterimol/B2: 4.18116	Sterimol/B3: 4.20685
Sterimol/B4: 4.81587	Sterimol/L: 25.9642

Surface and Volume Properties
Accessible surface: 716.819	Positive charged surface: 473.351	Negative charged surface: 243.468	Volume: 376.75
Hydrophobic surface: 517.015	Hydrophilic surface: 199.804

Pharmacophoric Properties
Hydrogen bond donors: 4	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: 0

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Ions/Tautomers related molecules

MMs03925245
SIAL-ZINC04787968