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ENAMINE-ZINC04513554

 MMsINC code: MMs01544420
Type: Neutral
Formula: C18H29N3O3
SMILES:   O=C1N(CC(=O)N2CCC(CC2)C)C(=O)NC12CCC(CC2)CC
InChI:   InChI=1/C18H29N3O3/c1-3-14-4-8-18(9-5-14)16(23)21(17(24)19-18)12-15(22)20-10-6-13(2)7-11-20/h13-14H,3-12H2,1-2H3,(H,19,24)/t14-,18-

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Potential Energy
Epot(MMFF94)=32.9519 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.448 g/mol  logS: -3.87202  SlogP: 2.1357  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0702448  Sterimol/B1: 2.44561  Sterimol/B2: 2.8163  Sterimol/B3: 4.63401
  Sterimol/B4: 6.30006  Sterimol/L: 18.2667 
 
 Surface and Volume Properties
  Accessible surface: 594.57  Positive charged surface: 446.42  Negative charged surface: 148.149  Volume: 331.625
  Hydrophobic surface: 442.634  Hydrophilic surface: 151.936
 
 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.