MMsINC Database Search


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

MMsINC code: MMs00488567

Type: Neutral
Formula: C₁₇H₁₄Cl₂N₂O₂

SMILES:

Clc1cc(NC(=O)C2CC(=O)N(C2)c2ccccc2)ccc1Cl

InChI:

InChI=1/C17H14Cl2N2O2/c18-14-7-6-12(9-15(14)19)20-17(23)11-8-16(22)21(10-11)13-4-2-1-3-5-13/h1-7,9,11H,8,10H2,(H,20,23)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.5367 kcal/mol

Physical Properties
Molecular Weight: 349.217 g/mol	logS: -4.73323	SlogP: 3.985	Reactive groups: 0

Topological Properties
Globularity: 0.0233357	Sterimol/B1: 2.85987	Sterimol/B2: 3.77743	Sterimol/B3: 4.48575
Sterimol/B4: 5.19901	Sterimol/L: 18.451

Surface and Volume Properties
Accessible surface: 566.409	Positive charged surface: 268.256	Negative charged surface: 298.154	Volume: 302.25
Hydrophobic surface: 493.25	Hydrophilic surface: 73.159

Pharmacophoric Properties
Hydrogen bond donors: 1	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.