MMsINC Database Search


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

MMsINC code: MMs02612230

Type: Neutral
Formula: C₁₉H₁₅Cl₂N₃O₃S

SMILES:

Clc1nc(Cl)cc(c1)C(=O)N(Cc1ncccc1)c1ccc(S(=O)(=O)C)cc1

InChI:

InChI=1/C19H15Cl2N3O3S/c1-28(26,27)16-7-5-15(6-8-16)24(12-14-4-2-3-9-22-14)19(25)13-10-17(20)23-18(21)11-13/h2-11H,12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=190.405 kcal/mol

Physical Properties
Molecular Weight: 436.319 g/mol	logS: -4.88521	SlogP: 4.3003	Reactive groups: 0

Topological Properties
Globularity: 0.0901876	Sterimol/B1: 3.04083	Sterimol/B2: 4.82705	Sterimol/B3: 5.74986
Sterimol/B4: 6.63688	Sterimol/L: 16.3731

Surface and Volume Properties
Accessible surface: 624.456	Positive charged surface: 263.559	Negative charged surface: 360.897	Volume: 360.875
Hydrophobic surface: 490.428	Hydrophilic surface: 134.028

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.