MMsINC Database Search


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MMsINC code: MMs01059565

Type: Neutral
Formula: C₁₉H₁₅ClN₄O₃

SMILES:

Clc1ccc(cc1)-c1noc2ncnc(Nc3cc(OC)cc(OC)c3)c12

InChI:

InChI=1/C19H15ClN4O3/c1-25-14-7-13(8-15(9-14)26-2)23-18-16-17(11-3-5-12(20)6-4-11)24-27-19(16)22-10-21-18/h3-10H,1-2H3,(H,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.408 kcal/mol

Physical Properties
Molecular Weight: 382.807 g/mol	logS: -6.70708	SlogP: 4.699	Reactive groups: 0

Topological Properties
Globularity: 0.0493129	Sterimol/B1: 2.09388	Sterimol/B2: 3.87348	Sterimol/B3: 4.01751
Sterimol/B4: 8.96923	Sterimol/L: 14.6178

Surface and Volume Properties
Accessible surface: 603.216	Positive charged surface: 363.84	Negative charged surface: 234.507	Volume: 335.375
Hydrophobic surface: 475.316	Hydrophilic surface: 127.9

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.