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ENAMINE-ZINC03531989

 MMsINC code: MMs01494230
Type: Neutral
Formula: C16H25N3O3
SMILES:   O=C1N(CC(=O)NC2CCCC2)C(=O)NC1C1CCCCC1
InChI:   InChI=1/C16H25N3O3/c20-13(17-12-8-4-5-9-12)10-19-15(21)14(18-16(19)22)11-6-2-1-3-7-11/h11-12,14H,1-10H2,(H,17,20)(H,18,22)/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=16.6518 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.394 g/mol  logS: -3.33735  SlogP: 1.5459  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0368011  Sterimol/B1: 3.03855  Sterimol/B2: 3.47085  Sterimol/B3: 3.54509
  Sterimol/B4: 5.02878  Sterimol/L: 17.7003 
 
 Surface and Volume Properties
  Accessible surface: 563.824  Positive charged surface: 419.241  Negative charged surface: 144.583  Volume: 300.125
  Hydrophobic surface: 432.184  Hydrophilic surface: 131.64
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.