MMsINC Database Search


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

MMsINC code: MMs00211290

Type: Neutral
Formula: C₁₉H₁₈Cl₂N₂O₂

SMILES:

Clc1cc(NC(=O)C2CC(=O)N(C2)c2ccc(cc2)CC)ccc1Cl

InChI:

InChI=1/C19H18Cl2N2O2/c1-2-12-3-6-15(7-4-12)23-11-13(9-18(23)24)19(25)22-14-5-8-16(20)17(21)10-14/h3-8,10,13H,2,9,11H2,1H3,(H,22,25)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.2218 kcal/mol

Physical Properties
Molecular Weight: 377.271 g/mol	logS: -5.72237	SlogP: 4.54737	Reactive groups: 0

Topological Properties
Globularity: 0.0221237	Sterimol/B1: 2.72202	Sterimol/B2: 3.82569	Sterimol/B3: 4.9258
Sterimol/B4: 5.27353	Sterimol/L: 20.5932

Surface and Volume Properties
Accessible surface: 625.093	Positive charged surface: 320.066	Negative charged surface: 305.027	Volume: 339.125
Hydrophobic surface: 531.007	Hydrophilic surface: 94.086

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.