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MMsINC code: MMs02407333

Type: Neutral
Formula: C₉H₁₂FN₂O₉P

SMILES:

P(OCC1OC(N2C=C(F)C(=O)NC2=O)C(O)C1O)(O)(O)=O

InChI:

InChI=1/C9H12FN2O9P/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-14H,2H2,(H,11,15,16)(H2,17,18,19)/t4-,5+,6+,8+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-12.4202 kcal/mol

Physical Properties
Molecular Weight: 342.172 g/mol	logS: -0.04847	SlogP: -3.0562	Reactive groups: 0

Topological Properties
Globularity: 0.0890442	Sterimol/B1: 3.40006	Sterimol/B2: 3.50733	Sterimol/B3: 3.65658
Sterimol/B4: 6.7811	Sterimol/L: 13.2837

Surface and Volume Properties
Accessible surface: 497.035	Positive charged surface: 266.62	Negative charged surface: 230.414	Volume: 241.375
Hydrophobic surface: 142.307	Hydrophilic surface: 354.728

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 9	Acid groups: 0	Basic groups: 0
Chiral centers: 4

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02407334
NCID-ZINC04802157