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ENAMINE-ZINC03457929

 MMsINC code: MMs01455264
Type: Neutral
Formula: C19H33N3O3
SMILES:   O=C1N(CC(=O)N(CC(C)C)CC(C)C)C(=O)NC12CCC(CC2)C
InChI:   InChI=1/C19H33N3O3/c1-13(2)10-21(11-14(3)4)16(23)12-22-17(24)19(20-18(22)25)8-6-15(5)7-9-19/h13-15H,6-12H2,1-5H3,(H,20,25)/t15-,19+

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Potential Energy
Epot(MMFF94)=38.6178 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.491 g/mol  logS: -3.54893  SlogP: 2.6277  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0651612  Sterimol/B1: 3.36335  Sterimol/B2: 4.33996  Sterimol/B3: 4.97578
  Sterimol/B4: 6.04421  Sterimol/L: 16.5565 
 
 Surface and Volume Properties
  Accessible surface: 615.884  Positive charged surface: 444.971  Negative charged surface: 170.912  Volume: 361.375
  Hydrophobic surface: 436.972  Hydrophilic surface: 178.912
 
 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.