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PUBCHEM-ZINC03660023

 MMsINC code: MMs03035812
Type: Neutral
Formula: C15H21N3O5
SMILES:   O(Cc1ccccc1)C(=O)NNC(=O)CNC(OC(C)(C)C)=O
InChI:   InChI=1/C15H21N3O5/c1-15(2,3)23-13(20)16-9-12(19)17-18-14(21)22-10-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,16,20)(H,17,19)(H,18,21)

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Potential Energy
Epot(MMFF94)=52.3226 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.349 g/mol  logS: -3.12334  SlogP: 1.7351  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0416918  Sterimol/B1: 2.37477  Sterimol/B2: 4.02809  Sterimol/B3: 4.87447
  Sterimol/B4: 6.67331  Sterimol/L: 17.9651 
 
 Surface and Volume Properties
  Accessible surface: 622.401  Positive charged surface: 396.413  Negative charged surface: 225.987  Volume: 303.5
  Hydrophobic surface: 385.479  Hydrophilic surface: 236.922
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.