MMsINC Database Search


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MMsINC code: MMs03451206

Type: Neutral
Formula: C₁₄H₁₀Cl₃N₃

SMILES:

Clc1cc2n(Cc3ccc(Cl)cc3)c(nc2cc1Cl)N

InChI:

InChI=1/C14H10Cl3N3/c15-9-3-1-8(2-4-9)7-20-13-6-11(17)10(16)5-12(13)19-14(20)18/h1-6H,7H2,(H2,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.2673 kcal/mol

Physical Properties
Molecular Weight: 326.614 g/mol	logS: -5.99198	SlogP: 4.8934	Reactive groups: 0

Topological Properties
Globularity: 0.127595	Sterimol/B1: 3.68358	Sterimol/B2: 3.93958	Sterimol/B3: 4.68108
Sterimol/B4: 5.82298	Sterimol/L: 14.4441

Surface and Volume Properties
Accessible surface: 503.565	Positive charged surface: 194.078	Negative charged surface: 309.488	Volume: 270.5
Hydrophobic surface: 405.695	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.