MMsINC Database Search


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

MMsINC code: MMs00305191

Type: Neutral
Formula: C₁₆H₁₂Cl₂N₂O₃

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)NCc1occc1

InChI:

InChI=1/C16H12Cl2N2O3/c1-9-13(16(21)19-8-10-4-3-7-22-10)15(20-23-9)14-11(17)5-2-6-12(14)18/h2-7H,8H2,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.842 kcal/mol

Physical Properties
Molecular Weight: 351.189 g/mol	logS: -5.87398	SlogP: 4.74622	Reactive groups: 0

Topological Properties
Globularity: 0.179893	Sterimol/B1: 2.44611	Sterimol/B2: 4.6975	Sterimol/B3: 4.72966
Sterimol/B4: 9.47887	Sterimol/L: 12.8905

Surface and Volume Properties
Accessible surface: 559.081	Positive charged surface: 236.124	Negative charged surface: 322.957	Volume: 297
Hydrophobic surface: 497.833	Hydrophilic surface: 61.248

Pharmacophoric Properties
Hydrogen bond donors: 1	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.