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MMsINC code: MMs03958685

Type: Neutral
Formula: C₁₇H₁₃Cl₂N₃O₄

SMILES:

Clc1cc(Cl)ccc1OCC(=O)Nc1oc2cc(NC(=O)C)ccc2n1

InChI:

InChI=1/C17H13Cl2N3O4/c1-9(23)20-11-3-4-13-15(7-11)26-17(21-13)22-16(24)8-25-14-5-2-10(18)6-12(14)19/h2-7H,8H2,1H3,(H,20,23)(H,21,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.2369 kcal/mol

Physical Properties
Molecular Weight: 394.214 g/mol	logS: -6.34147	SlogP: 4.1105	Reactive groups: 0

Topological Properties
Globularity: 0.00429797	Sterimol/B1: 2.52027	Sterimol/B2: 2.66449	Sterimol/B3: 2.832
Sterimol/B4: 6.02779	Sterimol/L: 22.2557

Surface and Volume Properties
Accessible surface: 631.97	Positive charged surface: 310.836	Negative charged surface: 321.135	Volume: 326
Hydrophobic surface: 475.116	Hydrophilic surface: 156.854

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