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ENAMINE-ZINC03309909

 MMsINC code: MMs01363213
Type: Neutral
Formula: C18H29N3O3
SMILES:   O=C1N(CC(=O)N(C)C2CCCCC2)C(=O)NC12CCC(CC2)C
InChI:   InChI=1/C18H29N3O3/c1-13-8-10-18(11-9-13)16(23)21(17(24)19-18)12-15(22)20(2)14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3,(H,19,24)/t13-,18+

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Potential Energy
Epot(MMFF94)=28.4106 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.448 g/mol  logS: -3.55857  SlogP: 2.2782  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.060003  Sterimol/B1: 2.9181  Sterimol/B2: 3.84596  Sterimol/B3: 4.08757
  Sterimol/B4: 5.6174  Sterimol/L: 17.9842 
 
 Surface and Volume Properties
  Accessible surface: 594.479  Positive charged surface: 440.302  Negative charged surface: 154.177  Volume: 332.625
  Hydrophobic surface: 467.38  Hydrophilic surface: 127.099
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.