MMsINC Database Search


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MMsINC code: MMs02223229

Type: Neutral
Formula: C₁₈H₁₀Cl₄N₄

SMILES:

Clc1cc(Cl)cnc1\N=C\c1ccc(cc1)\C=N\c1ncc(Cl)cc1Cl

InChI:

InChI=1/C18H10Cl4N4/c19-13-5-15(21)17(25-9-13)23-7-11-1-2-12(4-3-11)8-24-18-16(22)6-14(20)10-26-18/h1-10H/b23-7+,24-8+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.172 kcal/mol

Physical Properties
Molecular Weight: 424.118 g/mol	logS: -6.27776	SlogP: 6.5914	Reactive groups: 0

Topological Properties
Globularity: 1.07993e-07	Sterimol/B1: 2.09748	Sterimol/B2: 2.09924	Sterimol/B3: 2.42103
Sterimol/B4: 7.10647	Sterimol/L: 22.752

Surface and Volume Properties
Accessible surface: 652.531	Positive charged surface: 280.952	Negative charged surface: 371.579	Volume: 347.75
Hydrophobic surface: 585.651	Hydrophilic surface: 66.88

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.