MMsINC Database Search


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MMsINC code: MMs03106494

Type: Neutral
Formula: C₁₉H₁₃ClN₄O

SMILES:

Clc1cc(ccc1)C1=Nc2c(ncnc2)N(Cc2ccccc2)C1=O

InChI:

InChI=1/C19H13ClN4O/c20-15-8-4-7-14(9-15)17-19(25)24(11-13-5-2-1-3-6-13)18-16(23-17)10-21-12-22-18/h1-10,12H,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.9672 kcal/mol

Physical Properties
Molecular Weight: 348.793 g/mol	logS: -5.56967	SlogP: 4.064	Reactive groups: 0

Topological Properties
Globularity: 0.0720348	Sterimol/B1: 2.19417	Sterimol/B2: 3.12247	Sterimol/B3: 5.05098
Sterimol/B4: 8.47679	Sterimol/L: 15.5558

Surface and Volume Properties
Accessible surface: 567.06	Positive charged surface: 320.948	Negative charged surface: 246.111	Volume: 314
Hydrophobic surface: 473.578	Hydrophilic surface: 93.482

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.