NCID-ZINC01530260

MMsINC code: MMs02218782

• Type: Neutral
• Formula: C₃H₁₀NO₃P
• SMILES: P(O)(O)(=O)CCNC
• InChI: InChI=1/C3H10NO3P/c1-4-2-3-8(5,6)7/h4H,2-3H2,1H3,(H2,5,6,7)

Potential Energy
Epot(MMFF94)=-48.8391 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 139.091 g/mol
• logS: 1.31204
• SlogP: -1.6867
• Reactive groups: 0

Topological Properties

• Globularity: 0.102828
• Sterimol/B1: 3.04988
• Sterimol/B2: 3.12974
• Sterimol/B3: 3.40449
• Sterimol/B4: 3.57266
• Sterimol/L: 10.9458

Surface and Volume Properties

• Accessible surface: 315.308
• Positive charged surface: 227.187
• Negative charged surface: 88.1212
• Volume: 120.75
• Hydrophobic surface: 152.865
• Hydrophilic surface: 162.443

Pharmacophoric Properties

• Hydrogen bond donors: 4
• 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