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MMsINC code: MMs01207897

Type: Neutral
Formula: C₁₉H₁₅Cl₂N₃O₃

SMILES:

Clc1cc(N2C(=O)c3c(N(CC(=O)NC4CC4)C2=O)cc(Cl)cc3)ccc1

InChI:

InChI=1/C19H15Cl2N3O3/c20-11-2-1-3-14(8-11)24-18(26)15-7-4-12(21)9-16(15)23(19(24)27)10-17(25)22-13-5-6-13/h1-4,7-9,13H,5-6,10H2,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.4885 kcal/mol

Physical Properties
Molecular Weight: 404.253 g/mol	logS: -5.74331	SlogP: 3.8588	Reactive groups: 0

Topological Properties
Globularity: 0.0903224	Sterimol/B1: 2.46158	Sterimol/B2: 3.72163	Sterimol/B3: 5.63206
Sterimol/B4: 9.00951	Sterimol/L: 15.4726

Surface and Volume Properties
Accessible surface: 635.21	Positive charged surface: 298.782	Negative charged surface: 336.428	Volume: 343.875
Hydrophobic surface: 493.069	Hydrophilic surface: 142.141

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.