MMsINC Database Search


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MMsINC code: MMs01841800

Type: Neutral
Formula: C₁₉H₁₂Cl₂N₄

SMILES:

Clc1cc(Nc2nc(nc3c2cccc3)-c2ccncc2)cc(Cl)c1

InChI:

InChI=1/C19H12Cl2N4/c20-13-9-14(21)11-15(10-13)23-19-16-3-1-2-4-17(16)24-18(25-19)12-5-7-22-8-6-12/h1-11H,(H,23,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.663 kcal/mol

Physical Properties
Molecular Weight: 367.239 g/mol	logS: -6.9621	SlogP: 5.7422	Reactive groups: 0

Topological Properties
Globularity: 0.0315149	Sterimol/B1: 2.5101	Sterimol/B2: 3.45694	Sterimol/B3: 3.64683
Sterimol/B4: 10.2219	Sterimol/L: 14.4776

Surface and Volume Properties
Accessible surface: 567.794	Positive charged surface: 271.65	Negative charged surface: 285.329	Volume: 322.625
Hydrophobic surface: 510.829	Hydrophilic surface: 56.965

Pharmacophoric Properties
Hydrogen bond donors: 1	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.