MMsINC Database Search


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

MMsINC code: MMs00063177

Type: Neutral
Formula: C₁₇H₁₄Cl₂N₂O₂

SMILES:

Clc1c(NC(=O)C2CC(=O)N(C2)c2ccccc2)cccc1Cl

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.1933 kcal/mol

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

Topological Properties
Globularity: 0.0217597	Sterimol/B1: 2.44523	Sterimol/B2: 3.55129	Sterimol/B3: 3.67678
Sterimol/B4: 5.47375	Sterimol/L: 18.0997

Surface and Volume Properties
Accessible surface: 558.317	Positive charged surface: 263.733	Negative charged surface: 294.584	Volume: 300.5
Hydrophobic surface: 493.705	Hydrophilic surface: 64.612

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.