NCID-ZINC01673624

MMsINC code: MMs02309463

• Type: Neutral
• Formula: C₃H₉O₄P
• SMILES: P(OCCC)(O)(O)=O
• InChI: InChI=1/C3H9O4P/c1-2-3-7-8(4,5)6/h2-3H2,1H3,(H2,4,5,6)

Potential Energy
Epot(MMFF94)=-71.9815 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 140.075 g/mol
• logS: 0.29544
• SlogP: -0.5645
• Reactive groups: 0

Topological Properties

• Globularity: 0.10202
• Sterimol/B1: 3.06968
• Sterimol/B2: 3.08384
• Sterimol/B3: 3.1647
• Sterimol/B4: 3.30687
• Sterimol/L: 10.8176

Surface and Volume Properties

• Accessible surface: 311.588
• Positive charged surface: 193.06
• Negative charged surface: 118.528
• Volume: 115.375
• Hydrophobic surface: 134.194
• Hydrophilic surface: 177.394

Pharmacophoric Properties

• Hydrogen bond donors: 3
• 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