MMsINC Database Search


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

MMsINC code: MMs02781118

Type: Neutral
Formula: C₁₆H₁₆Cl₂N₂O₃S

SMILES:

Clc1ccc(Cl)cc1S(=O)(=O)N(CCc1ccccc1)CC(=O)N

InChI:

InChI=1/C16H16Cl2N2O3S/c17-13-6-7-14(18)15(10-13)24(22,23)20(11-16(19)21)9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H2,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.3991 kcal/mol

Physical Properties
Molecular Weight: 387.287 g/mol	logS: -4.87495	SlogP: 2.71207	Reactive groups: 0

Topological Properties
Globularity: 0.132487	Sterimol/B1: 2.42087	Sterimol/B2: 5.40393	Sterimol/B3: 5.56508
Sterimol/B4: 6.8555	Sterimol/L: 14.3776

Surface and Volume Properties
Accessible surface: 576.017	Positive charged surface: 269.669	Negative charged surface: 306.349	Volume: 323.25
Hydrophobic surface: 440.832	Hydrophilic surface: 135.185

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.