MMsINC Database Search


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

MMsINC code: MMs00642530

Type: Neutral
Formula: C₁₉H₁₆Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1ccccc1CC

InChI:

InChI=1/C19H16Cl2N2O2/c1-3-12-7-4-5-10-15(12)22-19(24)16-11(2)25-23-18(16)17-13(20)8-6-9-14(17)21/h4-10H,3H2,1-2H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.4235 kcal/mol

Physical Properties
Molecular Weight: 375.255 g/mol	logS: -6.85406	SlogP: 5.77149	Reactive groups: 0

Topological Properties
Globularity: 0.323488	Sterimol/B1: 2.29934	Sterimol/B2: 4.65824	Sterimol/B3: 7.50289
Sterimol/B4: 7.59581	Sterimol/L: 12.3745

Surface and Volume Properties
Accessible surface: 583.71	Positive charged surface: 264.357	Negative charged surface: 319.354	Volume: 335.75
Hydrophobic surface: 532.182	Hydrophilic surface: 51.528

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.