MMsINC Database Search


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

MMsINC code: MMs02047699

Type: Neutral
Formula: C₁₇H₁₅Cl₂N₃O₂

SMILES:

Clc1cc(NC(=O)NC2CC(=O)N(C2)c2ccccc2)ccc1Cl

InChI:

InChI=1/C17H15Cl2N3O2/c18-14-7-6-11(8-15(14)19)20-17(24)21-12-9-16(23)22(10-12)13-4-2-1-3-5-13/h1-8,12H,9-10H2,(H2,20,21,24)/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.1958 kcal/mol

Physical Properties
Molecular Weight: 364.232 g/mol	logS: -4.81797	SlogP: 3.9204	Reactive groups: 0

Topological Properties
Globularity: 0.0533147	Sterimol/B1: 3.18736	Sterimol/B2: 3.67481	Sterimol/B3: 4.47956
Sterimol/B4: 5.66277	Sterimol/L: 19.1639

Surface and Volume Properties
Accessible surface: 590.557	Positive charged surface: 284.064	Negative charged surface: 306.494	Volume: 316
Hydrophobic surface: 497.206	Hydrophilic surface: 93.351

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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.