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NCID-ZINC04896899

 MMsINC code: MMs02413939
Type: Neutral
Formula: C10H16N2O5
SMILES:   O1C(C)C(NC1=O)C(=O)NC(C(C)C)C(O)=O
InChI:   InChI=1/C10H16N2O5/c1-4(2)6(9(14)15)11-8(13)7-5(3)17-10(16)12-7/h4-7H,1-3H3,(H,11,13)(H,12,16)(H,14,15)/t5-,6+,7+/m1/s1

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Potential Energy
Epot(MMFF94)=48.7067 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.247 g/mol  logS: -1.21514  SlogP: -0.2913  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.076344  Sterimol/B1: 2.47528  Sterimol/B2: 2.8274  Sterimol/B3: 3.40737
  Sterimol/B4: 5.74779  Sterimol/L: 12.29 
 
 Surface and Volume Properties
  Accessible surface: 445.11  Positive charged surface: 282.946  Negative charged surface: 162.164  Volume: 217
  Hydrophobic surface: 181.23  Hydrophilic surface: 263.88
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs02413940
NCID-ZINC04896899