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ENAMINE-ZINC03592695

 MMsINC code: MMs01519223
Type: Neutral
Formula: C18H29N3O3
SMILES:   O=C1N(CC(=O)N2C(CCCC2C)C)C(=O)NC12CCC(CC2)C
InChI:   InChI=1/C18H29N3O3/c1-12-7-9-18(10-8-12)16(23)20(17(24)19-18)11-15(22)21-13(2)5-4-6-14(21)3/h12-14H,4-11H2,1-3H3,(H,19,24)/t12-,13-,14-,18+/m1/s1

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Potential Energy
Epot(MMFF94)=55.4105 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.448 g/mol  logS: -3.496  SlogP: 2.2766  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0643489  Sterimol/B1: 3.90803  Sterimol/B2: 3.99  Sterimol/B3: 4.34633
  Sterimol/B4: 4.59806  Sterimol/L: 17.0107 
 
 Surface and Volume Properties
  Accessible surface: 576.744  Positive charged surface: 412.016  Negative charged surface: 164.728  Volume: 331.375
  Hydrophobic surface: 425.4  Hydrophilic surface: 151.344
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.