MMsINC Database Search


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

MMsINC code: MMs00510567

Type: Neutral
Formula: C₁₉H₁₈Cl₂N₂O₂

SMILES:

Clc1cccc(N2CC(CC2=O)C(=O)Nc2cccc(Cl)c2C)c1C

InChI:

InChI=1/C19H18Cl2N2O2/c1-11-14(20)5-3-7-16(11)22-19(25)13-9-18(24)23(10-13)17-8-4-6-15(21)12(17)2/h3-8,13H,9-10H2,1-2H3,(H,22,25)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.5329 kcal/mol

Physical Properties
Molecular Weight: 377.271 g/mol	logS: -5.05417	SlogP: 4.60184	Reactive groups: 0

Topological Properties
Globularity: 0.0420158	Sterimol/B1: 3.05061	Sterimol/B2: 3.34774	Sterimol/B3: 4.24743
Sterimol/B4: 7.12386	Sterimol/L: 17.2875

Surface and Volume Properties
Accessible surface: 588.429	Positive charged surface: 291.505	Negative charged surface: 296.924	Volume: 338.375
Hydrophobic surface: 534.325	Hydrophilic surface: 54.104

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.