MMsINC Database Search


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MMsINC code: MMs01024054

Type: Neutral
Formula: C₁₆H₁₅FN₄O₂

SMILES:

Fc1cc(Nc2nc(N)c3cc(OC)c(OC)cc3n2)ccc1

InChI:

InChI=1/C16H15FN4O2/c1-22-13-7-11-12(8-14(13)23-2)20-16(21-15(11)18)19-10-5-3-4-9(17)6-10/h3-8H,1-2H3,(H3,18,19,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.5944 kcal/mol

Physical Properties
Molecular Weight: 314.32 g/mol	logS: -4.78436	SlogP: 3.1119	Reactive groups: 0

Topological Properties
Globularity: 0.0204157	Sterimol/B1: 1.969	Sterimol/B2: 2.48561	Sterimol/B3: 3.11865
Sterimol/B4: 7.55346	Sterimol/L: 15.566

Surface and Volume Properties
Accessible surface: 546.135	Positive charged surface: 376.714	Negative charged surface: 163.44	Volume: 280
Hydrophobic surface: 411.6	Hydrophilic surface: 134.535

Pharmacophoric Properties
Hydrogen bond donors: 2	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.