NCID-ZINC02025149

MMsINC code: MMs02378091

• Type: Neutral
• Formula: C₁₀H₁₀NO₈P
• SMILES: P(O)(O)(=O)CC(=O)Nc1cccc(C(O)=O)c1C(O)=O
• InChI: InChI=1/C10H10NO8P/c12-7(4-20(17,18)19)11-6-3-1-2-5(9(13)14)8(6)10(15)16/h1-3H,4H2,(H,11,12)(H,13,14)(H,15,16)(H2,17,18,19)

Potential Energy
Epot(MMFF94)=-0.895658 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 303.163 g/mol
• logS: -0.85625
• SlogP: -0.871
• Reactive groups: 0

Topological Properties

• Globularity: 0.0549254
• Sterimol/B1: 2.55579
• Sterimol/B2: 3.24834
• Sterimol/B3: 3.72406
• Sterimol/B4: 7.28653
• Sterimol/L: 15.1535

Surface and Volume Properties

• Accessible surface: 476.838
• Positive charged surface: 244.359
• Negative charged surface: 232.478
• Volume: 229.5
• Hydrophobic surface: 153.837
• Hydrophilic surface: 323.001

Pharmacophoric Properties

• Hydrogen bond donors: 8
• 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