MMsINC Database Search


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MMsINC code: MMs02397585

Type: Neutral
Formula: C₂₄H₃₄O₄

SMILES:

O(CCCCOc1ccc(OCCCC)cc1)c1ccc(OCCCC)cc1

InChI:

InChI=1/C24H34O4/c1-3-5-17-25-21-9-13-23(14-10-21)27-19-7-8-20-28-24-15-11-22(12-16-24)26-18-6-4-2/h9-16H,3-8,17-20H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.2337 kcal/mol

Physical Properties
Molecular Weight: 386.532 g/mol	logS: -5.87268	SlogP: 6.2824	Reactive groups: 0

Topological Properties
Globularity: 0.00501818	Sterimol/B1: 2.37488	Sterimol/B2: 2.38029	Sterimol/B3: 4.07007
Sterimol/B4: 6.26936	Sterimol/L: 28.6143

Surface and Volume Properties
Accessible surface: 808.581	Positive charged surface: 582.605	Negative charged surface: 225.975	Volume: 414.5
Hydrophobic surface: 737.686	Hydrophilic surface: 70.895

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.