MMsINC Database Search


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MMsINC code: MMs03413065

Type: Neutral
Formula: C₁₀H₁₅FN₅O₄P

SMILES:

P(OCC)(O)(=O)C(F)OCCn1c2ncnc(N)c2nc1

InChI:

InChI=1/C10H15FN5O4P/c1-2-20-21(17,18)10(11)19-4-3-16-6-15-7-8(12)13-5-14-9(7)16/h5-6,10H,2-4H2,1H3,(H,17,18)(H2,12,13,14)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.4025 kcal/mol

Physical Properties
Molecular Weight: 319.233 g/mol	logS: -1.30378	SlogP: 0.5162	Reactive groups: 0

Topological Properties
Globularity: 0.0725043	Sterimol/B1: 2.54379	Sterimol/B2: 2.84999	Sterimol/B3: 4.42633
Sterimol/B4: 5.9579	Sterimol/L: 15.8074

Surface and Volume Properties
Accessible surface: 541.04	Positive charged surface: 386.142	Negative charged surface: 154.898	Volume: 259.875
Hydrophobic surface: 246.688	Hydrophilic surface: 294.352

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 7	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.