MMsINC Database Search


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

MMsINC code: MMs00254841

Type: Neutral
Formula: C₁₉H₁₄Cl₂N₂O₂S

SMILES:

Clc1ccc(Cl)cc1NC(NC(=O)c1sccc1)C(=O)c1ccccc1

InChI:

InChI=1/C19H14Cl2N2O2S/c20-13-8-9-14(21)15(11-13)22-18(17(24)12-5-2-1-3-6-12)23-19(25)16-7-4-10-26-16/h1-11,18,22H,(H,23,25)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.6295 kcal/mol

Physical Properties
Molecular Weight: 405.305 g/mol	logS: -6.37704	SlogP: 5.1058	Reactive groups: 0

Topological Properties
Globularity: 0.155471	Sterimol/B1: 3.36855	Sterimol/B2: 4.49759	Sterimol/B3: 5.67357
Sterimol/B4: 9.27627	Sterimol/L: 14.7834

Surface and Volume Properties
Accessible surface: 623.288	Positive charged surface: 235.16	Negative charged surface: 388.128	Volume: 344.375
Hydrophobic surface: 563.272	Hydrophilic surface: 60.016

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.