MMsINC Database Search


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MMsINC code: MMs03399321

Type: Neutral
Formula: C₂₄H₃₈O₄

SMILES:

O(C(=O)c1ccccc1C(OCCCCCC)=O)CCCCCCCC(C)C

InChI:

InChI=1/C24H38O4/c1-4-5-6-13-18-27-23(25)21-16-11-12-17-22(21)24(26)28-19-14-9-7-8-10-15-20(2)3/h11-12,16-17,20H,4-10,13-15,18-19H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.7771 kcal/mol

Physical Properties
Molecular Weight: 390.564 g/mol	logS: -8.3585	SlogP: 6.5771	Reactive groups: 0

Topological Properties
Globularity: 0.0164526	Sterimol/B1: 2.42459	Sterimol/B2: 2.74338	Sterimol/B3: 4.29865
Sterimol/B4: 12.0395	Sterimol/L: 25.2018

Surface and Volume Properties
Accessible surface: 818.951	Positive charged surface: 620.757	Negative charged surface: 198.195	Volume: 426.5
Hydrophobic surface: 705.003	Hydrophilic surface: 113.948

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.