MMsINC Database Search


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MMsINC code: MMs02041160

Type: Neutral
Formula: C₁₇H₁₃FN₆

SMILES:

Fc1ccc(-n2ncc3c2ncnc3NCc2cccnc2)cc1

InChI:

InChI=1/C17H13FN6/c18-13-3-5-14(6-4-13)24-17-15(10-23-24)16(21-11-22-17)20-9-12-2-1-7-19-8-12/h1-8,10-11H,9H2,(H,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.0592 kcal/mol

Physical Properties
Molecular Weight: 320.331 g/mol	logS: -3.96529	SlogP: 3.2281	Reactive groups: 0

Topological Properties
Globularity: 0.0323204	Sterimol/B1: 2.74238	Sterimol/B2: 2.95265	Sterimol/B3: 4.32803
Sterimol/B4: 5.96727	Sterimol/L: 18.699

Surface and Volume Properties
Accessible surface: 554.88	Positive charged surface: 364.644	Negative charged surface: 184.974	Volume: 291.75
Hydrophobic surface: 459.642	Hydrophilic surface: 95.238

Pharmacophoric Properties
Hydrogen bond donors: 1	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.