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MMsINC code: MMs02929474

Type: Neutral
Formula: C₁₈H₁₆Cl₂N₄O₂

SMILES:

Clc1c(cc(OCn2nc(cc2)C(=O)Nc2ncc(Cl)cc2)cc1C)C

InChI:

InChI=1/C18H16Cl2N4O2/c1-11-7-14(8-12(2)17(11)20)26-10-24-6-5-15(23-24)18(25)22-16-4-3-13(19)9-21-16/h3-9H,10H2,1-2H3,(H,21,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.8027 kcal/mol

Physical Properties
Molecular Weight: 391.258 g/mol	logS: -4.2307	SlogP: 4.75694	Reactive groups: 0

Topological Properties
Globularity: 0.00422426	Sterimol/B1: 2.52113	Sterimol/B2: 2.63676	Sterimol/B3: 3.47286
Sterimol/B4: 6.53206	Sterimol/L: 21.6822

Surface and Volume Properties
Accessible surface: 654.913	Positive charged surface: 341.773	Negative charged surface: 313.14	Volume: 343
Hydrophobic surface: 542.946	Hydrophilic surface: 111.967

Pharmacophoric Properties
Hydrogen bond donors: 1	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.