ACROSORGANICS-ZINC01720869

MMsINC code: MMs00011652

• Type: Neutral
• Formula: C₃H₁₀NO₃P
• SMILES: P(O)(O)(=O)CCCN
• InChI: InChI=1/C3H10NO3P/c4-2-1-3-8(5,6)7/h1-4H2,(H2,5,6,7)

Potential Energy
Epot(MMFF94)=-48.3941 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 139.091 g/mol
• logS: 1.18585
• SlogP: -1.5573
• Reactive groups: 0

Topological Properties

• Globularity: 0.112255
• Sterimol/B1: 3.19415
• Sterimol/B2: 3.20546
• Sterimol/B3: 3.2996
• Sterimol/B4: 3.30616
• Sterimol/L: 10.774

Surface and Volume Properties

• Accessible surface: 309.872
• Positive charged surface: 209.385
• Negative charged surface: 100.487
• Volume: 117.25
• Hydrophobic surface: 106.137
• Hydrophilic surface: 203.735

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