DSC-ZINC02567607

MMsINC code: MMs01221745

• Type: Ionized
• Formula: C₄H₁₀O₂P-
• SMILES: P(=O)([O-])(CC)CC
• InChI: InChI=1/C4H11O2P/c1-3-7(5,6)4-2/h3-4H2,1-2H3,(H,5,6)/p-1

Potential Energy
Epot(MMFF94)=-4.43074 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 121.096 g/mol
• logS: 0.26242
• SlogP: -0.4056
• Reactive groups: 0

Topological Properties

• Globularity: 0.11627
• Sterimol/B1: 2.82339
• Sterimol/B2: 3.01215
• Sterimol/B3: 3.13413
• Sterimol/B4: 3.13509
• Sterimol/L: 10.0934

Surface and Volume Properties

• Accessible surface: 295.795
• Positive charged surface: 181.178
• Negative charged surface: 114.618
• Volume: 116.5
• Hydrophobic surface: 187.176
• Hydrophilic surface: 108.619

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 0
• Acid groups: 2
• 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