MMsINC Database Search


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MMsINC code: MMs02860729

Type: Neutral
Formula: C₁₀H₇Cl₃N₄

SMILES:

ClC(Cl)(Cl)c1nc(nc(n1)N)-c1ccccc1

InChI:

InChI=1/C10H7Cl3N4/c11-10(12,13)8-15-7(16-9(14)17-8)6-4-2-1-3-5-6/h1-5H,(H2,14,15,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=9.08497 kcal/mol

Physical Properties
Molecular Weight: 289.553 g/mol	logS: -5.67162	SlogP: 3.259	Reactive groups: 0

Topological Properties
Globularity: 0.0214282	Sterimol/B1: 3.24702	Sterimol/B2: 3.68446	Sterimol/B3: 5.07299
Sterimol/B4: 5.28112	Sterimol/L: 13.1215

Surface and Volume Properties
Accessible surface: 461.934	Positive charged surface: 171.326	Negative charged surface: 285.072	Volume: 229.625
Hydrophobic surface: 184.314	Hydrophilic surface: 277.62

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.