MMsINC Database Search


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

MMsINC code: MMs02996472

Type: Neutral
Formula: C₁₅H₁₄Cl₂N₄O₂

SMILES:

ClC(Cl)(NC(=O)Nc1ccccc1)NC(=O)Nc1ccccc1

InChI:

InChI=1/C15H14Cl2N4O2/c16-15(17,20-13(22)18-11-7-3-1-4-8-11)21-14(23)19-12-9-5-2-6-10-12/h1-10H,(H2,18,20,22)(H2,19,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-3.51373 kcal/mol

Physical Properties
Molecular Weight: 353.209 g/mol	logS: -4.96428	SlogP: 4.1386	Reactive groups: 0

Topological Properties
Globularity: 0.0219713	Sterimol/B1: 2.95905	Sterimol/B2: 3.37217	Sterimol/B3: 3.659
Sterimol/B4: 4.1116	Sterimol/L: 19.5348

Surface and Volume Properties
Accessible surface: 586.955	Positive charged surface: 287.198	Negative charged surface: 299.757	Volume: 302
Hydrophobic surface: 380.923	Hydrophilic surface: 206.032

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 2	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.