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MMsINC code: MMs03778836

Type: Neutral
Formula: C₁₁H₁₅N₂O₇P

SMILES:

P(OCc1cnc(C)c(O)c1\C=N\C(C(O)=O)C)(O)(O)=O

InChI:

InChI=1/C11H15N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3-4,7,14H,5H2,1-2H3,(H,15,16)(H2,17,18,19)/b13-4+/t7-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-6.00327 kcal/mol

Physical Properties
Molecular Weight: 318.222 g/mol	logS: -0.06071	SlogP: -0.20688	Reactive groups: 0

Topological Properties
Globularity: 0.0866086	Sterimol/B1: 2.17876	Sterimol/B2: 3.66665	Sterimol/B3: 3.67395
Sterimol/B4: 8.97192	Sterimol/L: 14.6572

Surface and Volume Properties
Accessible surface: 547.16	Positive charged surface: 348.704	Negative charged surface: 198.457	Volume: 262.125
Hydrophobic surface: 236.994	Hydrophilic surface: 310.166

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 9	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

MMs03778837
PUBCHEM-ZINC06520367