MMsINC Database Search


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

MMsINC code: MMs03192120

Type: Neutral
Formula: C₁₆H₁₆Cl₂N₂O₂

SMILES:

Clc1c(NC(=O)NCCc2ccccc2OC)cccc1Cl

InChI:

InChI=1/C16H16Cl2N2O2/c1-22-14-8-3-2-5-11(14)9-10-19-16(21)20-13-7-4-6-12(17)15(13)18/h2-8H,9-10H2,1H3,(H2,19,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.7522 kcal/mol

Physical Properties
Molecular Weight: 339.222 g/mol	logS: -4.77652	SlogP: 4.36617	Reactive groups: 0

Topological Properties
Globularity: 0.0713555	Sterimol/B1: 2.4058	Sterimol/B2: 3.42548	Sterimol/B3: 4.78984
Sterimol/B4: 7.27914	Sterimol/L: 17.6359

Surface and Volume Properties
Accessible surface: 585.608	Positive charged surface: 323.145	Negative charged surface: 262.463	Volume: 302.625
Hydrophobic surface: 524.848	Hydrophilic surface: 60.76

Pharmacophoric Properties
Hydrogen bond donors: 2	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.