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MMsINC code: MMs03227874

Type: Neutral
Formula: C₁₂H₈Cl₂N₂O₂

SMILES:

Clc1cc(N=Nc2cc(Cl)c(O)cc2)ccc1O

InChI:

InChI=1/C12H8Cl2N2O2/c13-9-5-7(1-3-11(9)17)15-16-8-2-4-12(18)10(14)6-8/h1-6,17-18H/b16-15+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.3986 kcal/mol

Physical Properties
Molecular Weight: 283.114 g/mol	logS: -4.02236	SlogP: 4.82	Reactive groups: 0

Topological Properties
Globularity: 0.0039012	Sterimol/B1: 2.097	Sterimol/B2: 2.19362	Sterimol/B3: 3.36493
Sterimol/B4: 6.22639	Sterimol/L: 15.2403

Surface and Volume Properties
Accessible surface: 483.181	Positive charged surface: 203.966	Negative charged surface: 279.215	Volume: 233.25
Hydrophobic surface: 391.2	Hydrophilic surface: 91.981

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.