MMsINC Database Search


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

MMsINC code: MMs02155465

Type: Neutral
Formula: C₁₉H₁₈Cl₂N₂O₂

SMILES:

Clc1cc(Cl)ccc1C(=O)N1CCC(NC(=O)c2ccccc2)CC1

InChI:

InChI=1/C19H18Cl2N2O2/c20-14-6-7-16(17(21)12-14)19(25)23-10-8-15(9-11-23)22-18(24)13-4-2-1-3-5-13/h1-7,12,15H,8-11H2,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.3869 kcal/mol

Physical Properties
Molecular Weight: 377.271 g/mol	logS: -5.38645	SlogP: 4.028	Reactive groups: 0

Topological Properties
Globularity: 0.0887279	Sterimol/B1: 4.02353	Sterimol/B2: 4.434	Sterimol/B3: 4.45098
Sterimol/B4: 5.61855	Sterimol/L: 18.2593

Surface and Volume Properties
Accessible surface: 611.443	Positive charged surface: 299.113	Negative charged surface: 312.33	Volume: 334.875
Hydrophobic surface: 551.973	Hydrophilic surface: 59.47

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.