MMsINC Database Search


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MMsINC code: MMs03450938

Type: Neutral
Formula: C₁₄H₉Cl₄N₃

SMILES:

Clc1cc(ccc1Cl)Cn1c2cc(Cl)c(Cl)cc2nc1N

InChI:

InChI=1/C14H9Cl4N3/c15-8-2-1-7(3-9(8)16)6-21-13-5-11(18)10(17)4-12(13)20-14(21)19/h1-5H,6H2,(H2,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.3535 kcal/mol

Physical Properties
Molecular Weight: 361.059 g/mol	logS: -6.72627	SlogP: 5.5468	Reactive groups: 0

Topological Properties
Globularity: 0.128041	Sterimol/B1: 3.68713	Sterimol/B2: 3.9165	Sterimol/B3: 4.6421
Sterimol/B4: 6.51438	Sterimol/L: 14.4545

Surface and Volume Properties
Accessible surface: 524.079	Positive charged surface: 179.1	Negative charged surface: 344.98	Volume: 285.875
Hydrophobic surface: 426.209	Hydrophilic surface: 97.87

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.