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NCID-ZINC01735071

 MMsINC code: MMs02357216
Type: Neutral
Formula: C15H21N3O7
SMILES:   O=C1NC(=O)NC=C1CCC(NC(=O)C)(C(OCC)=O)C(OCC)=O
InChI:   InChI=1/C15H21N3O7/c1-4-24-12(21)15(18-9(3)19,13(22)25-5-2)7-6-10-8-16-14(23)17-11(10)20/h8H,4-7H2,1-3H3,(H,18,19)(H2,16,17,20,23)

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Potential Energy
Epot(MMFF94)=26.1865 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.347 g/mol  logS: -2.15702  SlogP: -0.509  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.238438  Sterimol/B1: 2.53047  Sterimol/B2: 4.1654  Sterimol/B3: 4.93464
  Sterimol/B4: 8.73127  Sterimol/L: 15.9459 
 
 Surface and Volume Properties
  Accessible surface: 600.924  Positive charged surface: 375.458  Negative charged surface: 225.466  Volume: 315.875
  Hydrophobic surface: 330.582  Hydrophilic surface: 270.342
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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
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Ions/Tautomers related molecules: no related molecules available.