MMsINC Database Search


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

MMsINC code: MMs02778179

Type: Neutral
Formula: C₁₅H₁₂Cl₄N₂O₃S

SMILES:

Clc1ccc(Cl)cc1NC(=O)CN(S(=O)(=O)c1cc(Cl)ccc1Cl)C

InChI:

InChI=1/C15H12Cl4N2O3S/c1-21(25(23,24)14-7-10(17)3-5-12(14)19)8-15(22)20-13-6-9(16)2-4-11(13)18/h2-7H,8H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.7172 kcal/mol

Physical Properties
Molecular Weight: 442.15 g/mol	logS: -6.23203	SlogP: 4.5594	Reactive groups: 0

Topological Properties
Globularity: 0.0856061	Sterimol/B1: 2.16454	Sterimol/B2: 4.2765	Sterimol/B3: 5.66419
Sterimol/B4: 7.9146	Sterimol/L: 17.0107

Surface and Volume Properties
Accessible surface: 609.899	Positive charged surface: 221.112	Negative charged surface: 388.787	Volume: 335.625
Hydrophobic surface: 529.812	Hydrophilic surface: 80.087

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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.