MMsINC Database Search


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MMsINC code: MMs02134291

Type: Neutral
Formula: C₁₄H₁₀Cl₂N₄

SMILES:

Clc1cc(cc(Cl)c1)-c1nnnn1Cc1ccccc1

InChI:

InChI=1/C14H10Cl2N4/c15-12-6-11(7-13(16)8-12)14-17-18-19-20(14)9-10-4-2-1-3-5-10/h1-8H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.9838 kcal/mol

Physical Properties
Molecular Weight: 305.168 g/mol	logS: -5.15161	SlogP: 3.9616	Reactive groups: 0

Topological Properties
Globularity: 0.0778453	Sterimol/B1: 3.51277	Sterimol/B2: 3.73871	Sterimol/B3: 5.09163
Sterimol/B4: 5.23789	Sterimol/L: 15.7446

Surface and Volume Properties
Accessible surface: 507.124	Positive charged surface: 180.97	Negative charged surface: 292.692	Volume: 260.875
Hydrophobic surface: 469.301	Hydrophilic surface: 37.823

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.