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ENAMINE-ZINC03563739

 MMsINC code: MMs01510274
Type: Neutral
Formula: C16H25N3O3
SMILES:   O=C1N(CC(=O)NC2CCCC2)C(=O)NC12CCCCC2C
InChI:   InChI=1/C16H25N3O3/c1-11-6-4-5-9-16(11)14(21)19(15(22)18-16)10-13(20)17-12-7-2-3-8-12/h11-12H,2-10H2,1H3,(H,17,20)(H,18,22)/t11-,16-/m1/s1

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Potential Energy
Epot(MMFF94)=28.7955 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.394 g/mol  logS: -2.83589  SlogP: 1.5459  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0841014  Sterimol/B1: 2.25898  Sterimol/B2: 2.63634  Sterimol/B3: 4.47346
  Sterimol/B4: 6.54492  Sterimol/L: 15.4125 
 
 Surface and Volume Properties
  Accessible surface: 546.305  Positive charged surface: 400.38  Negative charged surface: 145.924  Volume: 298.75
  Hydrophobic surface: 417.923  Hydrophilic surface: 128.382
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.