MMsINC Database Search


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MMsINC code: MMs03809860

Type: Neutral
Formula: C₁₀H₁₅FN₅O₅P

SMILES:

P(O)(O)(=O)COC(CCF)Cn1c2N=C(NC(=O)c2nc1)N

InChI:

InChI=1/C10H15FN5O5P/c11-2-1-6(21-5-22(18,19)20)3-16-4-13-7-8(16)14-10(12)15-9(7)17/h4,6H,1-3,5H2,(H2,18,19,20)(H3,12,14,15,17)/t6-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=5.62445 kcal/mol

Physical Properties
Molecular Weight: 335.232 g/mol	logS: -0.80515	SlogP: -1.3511	Reactive groups: 1

Topological Properties
Globularity: 0.290759	Sterimol/B1: 2.21618	Sterimol/B2: 4.27669	Sterimol/B3: 4.7554
Sterimol/B4: 6.29947	Sterimol/L: 12.529

Surface and Volume Properties
Accessible surface: 489.421	Positive charged surface: 321.9	Negative charged surface: 167.521	Volume: 264
Hydrophobic surface: 183.488	Hydrophilic surface: 305.933

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 7	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.