MMsINC Database Search


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

MMsINC code: MMs01666213

Type: Neutral
Formula: C₂₀H₂₀Cl₂N₂O₂

SMILES:

Clc1cc(Cl)ccc1CN(C(=O)C1CC(=O)N(C1)c1ccc(cc1)C)C

InChI:

InChI=1/C20H20Cl2N2O2/c1-13-3-7-17(8-4-13)24-12-15(9-19(24)25)20(26)23(2)11-14-5-6-16(21)10-18(14)22/h3-8,10,15H,9,11-12H2,1-2H3/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.0396 kcal/mol

Physical Properties
Molecular Weight: 391.298 g/mol	logS: -5.0452	SlogP: 4.57972	Reactive groups: 0

Topological Properties
Globularity: 0.077773	Sterimol/B1: 4.16467	Sterimol/B2: 4.2663	Sterimol/B3: 5.10886
Sterimol/B4: 5.28134	Sterimol/L: 18.1965

Surface and Volume Properties
Accessible surface: 621.25	Positive charged surface: 336.616	Negative charged surface: 284.634	Volume: 355.125
Hydrophobic surface: 558.998	Hydrophilic surface: 62.252

Pharmacophoric Properties
Hydrogen bond donors: 0	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.