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ENAMINE-ZINC03386929

 MMsINC code: MMs01411225
Type: Neutral
Formula: C19H31N3O3
SMILES:   O=C1N(CC(=O)NCC2CCCCC2)C(=O)NC12CCC(CC2)CC
InChI:   InChI=1/C19H31N3O3/c1-2-14-8-10-19(11-9-14)17(24)22(18(25)21-19)13-16(23)20-12-15-6-4-3-5-7-15/h14-15H,2-13H2,1H3,(H,20,23)(H,21,25)/t14-,19-

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Potential Energy
Epot(MMFF94)=27.1663 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.475 g/mol  logS: -4.88301  SlogP: 2.5737  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0567355  Sterimol/B1: 2.53384  Sterimol/B2: 3.02364  Sterimol/B3: 4.26399
  Sterimol/B4: 7.92681  Sterimol/L: 18.7967 
 
 Surface and Volume Properties
  Accessible surface: 627.995  Positive charged surface: 475.213  Negative charged surface: 152.783  Volume: 349.875
  Hydrophobic surface: 483.807  Hydrophilic surface: 144.188
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.