NCID-ZINC01720921

MMsINC code: MMs02345822

• Type: Neutral
• Formula: C₃H₁₀NO₃P
• SMILES: P(O)(O)(=O)CC(N)C
• InChI: InChI=1/C3H10NO3P/c1-3(4)2-8(5,6)7/h3H,2,4H2,1H3,(H2,5,6,7)/t3-/m0/s1

Potential Energy
Epot(MMFF94)=-43.6962 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 139.091 g/mol
• logS: 1.06041
• SlogP: -1.5589
• Reactive groups: 0

Topological Properties

• Globularity: 0.162454
• Sterimol/B1: 2.66894
• Sterimol/B2: 2.79552
• Sterimol/B3: 3.70179
• Sterimol/B4: 4.01717
• Sterimol/L: 9.76706

Surface and Volume Properties

• Accessible surface: 300.441
• Positive charged surface: 193.808
• Negative charged surface: 106.632
• Volume: 118.75
• Hydrophobic surface: 100.652
• Hydrophilic surface: 199.789

Pharmacophoric Properties

• Hydrogen bond donors: 4
• Hydrogen bond acceptors: 4
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 1

Drug- and Lead-like Properties

• Lipinski's drug-like rule: 1
• Violations of Lipinski's rule: 0
• Oprea's lead like rule: 1