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MMsINC code: MMs01751331

Type: Neutral
Formula: C₁₅H₁₀Cl₂N₂O₃

SMILES:

Clc1c2c(NC(=O)C2(O)CC(=O)c2ncccc2)cc(Cl)c1

InChI:

InChI=1/C15H10Cl2N2O3/c16-8-5-9(17)13-11(6-8)19-14(21)15(13,22)7-12(20)10-3-1-2-4-18-10/h1-6,22H,7H2,(H,19,21)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.8082 kcal/mol

Physical Properties
Molecular Weight: 337.162 g/mol	logS: -3.85136	SlogP: 3.1126	Reactive groups: 0

Topological Properties
Globularity: 0.0745384	Sterimol/B1: 3.02103	Sterimol/B2: 4.14905	Sterimol/B3: 4.36615
Sterimol/B4: 4.4315	Sterimol/L: 15.962

Surface and Volume Properties
Accessible surface: 517.028	Positive charged surface: 244.445	Negative charged surface: 272.583	Volume: 271.375
Hydrophobic surface: 395.64	Hydrophilic surface: 121.388

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.