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MMsINC code: MMs00200947

Type: Neutral
Formula: C₁₉H₁₆Cl₂N₂O₂

SMILES:

Clc1cc(C(NC(=O)CC)c2ccc(Cl)cc2)c(O)c2ncccc12

InChI:

InChI=1/C19H16Cl2N2O2/c1-2-16(24)23-17(11-5-7-12(20)8-6-11)14-10-15(21)13-4-3-9-22-18(13)19(14)25/h3-10,17,25H,2H2,1H3,(H,23,24)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.254 kcal/mol

Physical Properties
Molecular Weight: 375.255 g/mol	logS: -5.20321	SlogP: 4.9583	Reactive groups: 0

Topological Properties
Globularity: 0.217537	Sterimol/B1: 2.18017	Sterimol/B2: 3.33115	Sterimol/B3: 5.66191
Sterimol/B4: 12.0443	Sterimol/L: 13.3924

Surface and Volume Properties
Accessible surface: 600.18	Positive charged surface: 301.999	Negative charged surface: 292.821	Volume: 331.5
Hydrophobic surface: 496.619	Hydrophilic surface: 103.561

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

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Ions/Tautomers related molecules: no related molecules available.