PUBCHEM-ZINC01533877

MMsINC code: MMs02813840

• Type: Neutral
• Formula: C₉H₂₃NO₇P₂
• SMILES: P(O)(O)(=O)C(P(O)(O)=O)(O)CCN(CCCCC)C
• InChI: InChI=1/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17)

Potential Energy
Epot(MMFF94)=-34.4851 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 319.231 g/mol
• logS: 0.18004
• SlogP: -1.6404
• Reactive groups: 0

Topological Properties

• Globularity: 0.0763156
• Sterimol/B1: 3.24051
• Sterimol/B2: 4.14893
• Sterimol/B3: 4.25498
• Sterimol/B4: 4.3883
• Sterimol/L: 16.6369

Surface and Volume Properties

• Accessible surface: 534.407
• Positive charged surface: 366.899
• Negative charged surface: 167.508
• Volume: 271
• Hydrophobic surface: 257.653
• Hydrophilic surface: 276.754

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