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ENAMINE-ZINC05981049

 MMsINC code: MMs01649484
Type: Neutral
Formula: C14H21N3O5
SMILES:   O=C1N(CC(=O)NCC(OC)=O)C(=O)NC12CCC(CC2)C
InChI:   InChI=1/C14H21N3O5/c1-9-3-5-14(6-4-9)12(20)17(13(21)16-14)8-10(18)15-7-11(19)22-2/h9H,3-8H2,1-2H3,(H,15,18)(H,16,21)/t9-,14+

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Potential Energy
Epot(MMFF94)=30.6374 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.338 g/mol  logS: -2.60159  SlogP: -0.2237  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0403568  Sterimol/B1: 3.08216  Sterimol/B2: 3.88275  Sterimol/B3: 4.04477
  Sterimol/B4: 4.68292  Sterimol/L: 18.9829 
 
 Surface and Volume Properties
  Accessible surface: 556.013  Positive charged surface: 401.249  Negative charged surface: 154.764  Volume: 283.75
  Hydrophobic surface: 352.174  Hydrophilic surface: 203.839
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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
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Ions/Tautomers related molecules: no related molecules available.