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MMsINC code: MMs03102300

Type: Neutral
Formula: C₁₈H₁₇Cl₂N₃O₃

SMILES:

Clc1ccccc1C(=O)c1cc(Cl)ccc1N(C(=O)CNC(=O)CN)C

InChI:

InChI=1/C18H17Cl2N3O3/c1-23(17(25)10-22-16(24)9-21)15-7-6-11(19)8-13(15)18(26)12-4-2-3-5-14(12)20/h2-8H,9-10,21H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.151 kcal/mol

Physical Properties
Molecular Weight: 394.258 g/mol	logS: -4.8863	SlogP: 2.2621	Reactive groups: 0

Topological Properties
Globularity: 0.107046	Sterimol/B1: 2.2667	Sterimol/B2: 4.43831	Sterimol/B3: 6.33098
Sterimol/B4: 7.0395	Sterimol/L: 16.4416

Surface and Volume Properties
Accessible surface: 624.599	Positive charged surface: 336.672	Negative charged surface: 287.927	Volume: 342.875
Hydrophobic surface: 470.755	Hydrophilic surface: 153.844

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

MMs03102301
PUBCHEM-ZINC04216774