MMsINC Database Search


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MMsINC code: MMs02860758

Type: Neutral
Formula: C₁₆H₁₀Cl₃N₃

SMILES:

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

InChI:

InChI=1/C16H10Cl3N3/c17-16(18,19)15-21-13(11-7-3-1-4-8-11)20-14(22-15)12-9-5-2-6-10-12/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.1338 kcal/mol

Physical Properties
Molecular Weight: 350.636 g/mol	logS: -8.03466	SlogP: 5.3438	Reactive groups: 0

Topological Properties
Globularity: 0.0116837	Sterimol/B1: 3.24887	Sterimol/B2: 3.26234	Sterimol/B3: 3.68357
Sterimol/B4: 8.25941	Sterimol/L: 14.5175

Surface and Volume Properties
Accessible surface: 556.521	Positive charged surface: 186.389	Negative charged surface: 359.061	Volume: 297
Hydrophobic surface: 360.255	Hydrophilic surface: 196.266

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.