MMsINC Database Search


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MMsINC code: MMs00593415

Type: Neutral
Formula: C₁₅H₁₀Cl₃N₃

SMILES:

Clc1cc(Cl)ccc1-c1ncnn1-c1cccc(Cl)c1C

InChI:

InChI=1/C15H10Cl3N3/c1-9-12(17)3-2-4-14(9)21-15(19-8-20-21)11-6-5-10(16)7-13(11)18/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.9626 kcal/mol

Physical Properties
Molecular Weight: 338.625 g/mol	logS: -6.75025	SlogP: 5.20292	Reactive groups: 0

Topological Properties
Globularity: 0.158431	Sterimol/B1: 2.51879	Sterimol/B2: 4.5137	Sterimol/B3: 5.24992
Sterimol/B4: 5.72331	Sterimol/L: 13.5451

Surface and Volume Properties
Accessible surface: 512.235	Positive charged surface: 205.685	Negative charged surface: 306.549	Volume: 283.375
Hydrophobic surface: 458.471	Hydrophilic surface: 53.764

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.