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ASINEX-ZINC04951933

 MMsINC code: MMs00411686
Type: Neutral
Formula: C14H23N3O3
SMILES:   O=C1N(CC(O)CN(CC=C)CC=C)C(=O)NC1(C)C
InChI:   InChI=1/C14H23N3O3/c1-5-7-16(8-6-2)9-11(18)10-17-12(19)14(3,4)15-13(17)20/h5-6,11,18H,1-2,7-10H2,3-4H3,(H,15,20)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=43.3492 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.356 g/mol  logS: -1.37672  SlogP: 0.3517  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0713225  Sterimol/B1: 2.55077  Sterimol/B2: 2.57771  Sterimol/B3: 4.20065
  Sterimol/B4: 5.832  Sterimol/L: 16.0562 
 
 Surface and Volume Properties
  Accessible surface: 532.206  Positive charged surface: 365.273  Negative charged surface: 166.933  Volume: 283.625
  Hydrophobic surface: 301.266  Hydrophilic surface: 230.94
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00411687
ASINEX-ZINC04951933