MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02955281

Type: Neutral
Formula: C₂₄H₂₀Cl₃NO₄

SMILES:

Clc1ccccc1C(=O)NCc1cc(cc(C)c1OC(=O)COc1ccc(Cl)cc1Cl)C

InChI:

InChI=1/C24H20Cl3NO4/c1-14-9-15(2)23(32-22(29)13-31-21-8-7-17(25)11-20(21)27)16(10-14)12-28-24(30)18-5-3-4-6-19(18)26/h3-11H,12-13H2,1-2H3,(H,28,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.787 kcal/mol

Physical Properties
Molecular Weight: 492.786 g/mol	logS: -8.32705	SlogP: 6.44444	Reactive groups: 0

Topological Properties
Globularity: 0.121206	Sterimol/B1: 4.008	Sterimol/B2: 5.37328	Sterimol/B3: 5.75944
Sterimol/B4: 6.41984	Sterimol/L: 18.2594

Surface and Volume Properties
Accessible surface: 722.733	Positive charged surface: 338.177	Negative charged surface: 384.556	Volume: 428.625
Hydrophobic surface: 675.913	Hydrophilic surface: 46.82

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.