FDA-ZINC01531009

MMsINC code: MMs01725602

• Type: Neutral
• Formula: C₇H₁₁NO₇P₂
• SMILES: P(O)(O)(=O)C(P(O)(O)=O)(O)Cc1cccnc1
• InChI: InChI=1/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)

Potential Energy
Epot(MMFF94)=-14.4936 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 283.113 g/mol
• logS: 1.26789
• SlogP: -2.51483
• Reactive groups: 0

Topological Properties

• Globularity: 0.155379
• Sterimol/B1: 3.0718
• Sterimol/B2: 3.67923
• Sterimol/B3: 4.21399
• Sterimol/B4: 4.39115
• Sterimol/L: 12.3948

Surface and Volume Properties

• Accessible surface: 408.612
• Positive charged surface: 243.868
• Negative charged surface: 164.744
• Volume: 208.625
• Hydrophobic surface: 159.711
• Hydrophilic surface: 248.901

Pharmacophoric Properties

• Hydrogen bond donors: 7
• Hydrogen bond acceptors: 8
• 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