MMsINC Database Search


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MMsINC code: MMs01745272

Type: Neutral
Formula: C₁₉H₁₃FN₄

SMILES:

Fc1cc(Nc2nc(nc3c2cccc3)-c2ncccc2)ccc1

InChI:

InChI=1/C19H13FN4/c20-13-6-5-7-14(12-13)22-18-15-8-1-2-9-16(15)23-19(24-18)17-10-3-4-11-21-17/h1-12H,(H,22,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.7002 kcal/mol

Physical Properties
Molecular Weight: 316.339 g/mol	logS: -5.7573	SlogP: 4.5745	Reactive groups: 0

Topological Properties
Globularity: 0.0278045	Sterimol/B1: 2.75207	Sterimol/B2: 2.8082	Sterimol/B3: 2.9102
Sterimol/B4: 9.93799	Sterimol/L: 14.2433

Surface and Volume Properties
Accessible surface: 536.248	Positive charged surface: 301.674	Negative charged surface: 229.167	Volume: 293.75
Hydrophobic surface: 483.99	Hydrophilic surface: 52.258

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.