MMsINC Database Search


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MMsINC code: MMs02070189

Type: Neutral
Formula: C₁₇H₁₁FN₆O₂

SMILES:

Fc1ccccc1N1c2nc(nc(c2NC1=O)C(=O)N)-c1ccncc1

InChI:

InChI=1/C17H11FN6O2/c18-10-3-1-2-4-11(10)24-16-13(22-17(24)26)12(14(19)25)21-15(23-16)9-5-7-20-8-6-9/h1-8H,(H2,19,25)(H,22,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.483 kcal/mol

Physical Properties
Molecular Weight: 350.313 g/mol	logS: -4.66608	SlogP: 2.4602	Reactive groups: 0

Topological Properties
Globularity: 0.0645649	Sterimol/B1: 2.42427	Sterimol/B2: 5.06929	Sterimol/B3: 5.52448
Sterimol/B4: 6.9628	Sterimol/L: 14.0956

Surface and Volume Properties
Accessible surface: 558.699	Positive charged surface: 330.207	Negative charged surface: 222.516	Volume: 295.25
Hydrophobic surface: 353.117	Hydrophilic surface: 205.582

Pharmacophoric Properties
Hydrogen bond donors: 2	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.