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NCID-ZINC01586090

 MMsINC code: MMs02242298
Type: Neutral
Formula: C9H19N2O4P
SMILES:   P(O)(O)(=O)C(NC(=O)C1NCCC1)C(C)C
InChI:   InChI=1/C9H19N2O4P/c1-6(2)9(16(13,14)15)11-8(12)7-4-3-5-10-7/h6-7,9-10H,3-5H2,1-2H3,(H,11,12)(H2,13,14,15)/t7-,9+/m0/s1

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Potential Energy
Epot(MMFF94)=14.426 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.235 g/mol  logS: -0.02439  SlogP: -1.0558  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122063  Sterimol/B1: 2.08102  Sterimol/B2: 3.447  Sterimol/B3: 3.57413
  Sterimol/B4: 6.89178  Sterimol/L: 12.2991 
 
 Surface and Volume Properties
  Accessible surface: 454.857  Positive charged surface: 307.124  Negative charged surface: 147.733  Volume: 227
  Hydrophobic surface: 248.813  Hydrophilic surface: 206.044
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02242299
NCID-ZINC01586090