ACROSORGANICS-ZINC01577196

MMsINC code: MMs00009432

• Type: Neutral
• Formula: C₈H₁₉O₄P
• SMILES: P(OCCCC)(OCCCC)(O)=O
• InChI: InChI=1/C8H19O4P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3,(H,9,10)

Potential Energy
Epot(MMFF94)=-42.2587 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 210.21 g/mol
• logS: -1.60916
• SlogP: 1.65
• Reactive groups: 0

Topological Properties

• Globularity: 0.0333942
• Sterimol/B1: 2.31899
• Sterimol/B2: 3.01528
• Sterimol/B3: 3.4696
• Sterimol/B4: 5.08924
• Sterimol/L: 17.142

Surface and Volume Properties

• Accessible surface: 474.047
• Positive charged surface: 343.814
• Negative charged surface: 130.233
• Volume: 205
• Hydrophobic surface: 332.807
• Hydrophilic surface: 141.24

Pharmacophoric Properties

• Hydrogen bond donors: 2
• Hydrogen bond acceptors: 4
• 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