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ENAMINE-ZINC03336817

 MMsINC code: MMs01380383
Type: Neutral
Formula: C16H27N3O3
SMILES:   O=C1N(CC(=O)N(C)C2CCCCC2)C(=O)NC1CC(C)C
InChI:   InChI=1/C16H27N3O3/c1-11(2)9-13-15(21)19(16(22)17-13)10-14(20)18(3)12-7-5-4-6-8-12/h11-13H,4-10H2,1-3H3,(H,17,22)/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=21.4353 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.41 g/mol  logS: -3.13163  SlogP: 1.744  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0683695  Sterimol/B1: 1.99609  Sterimol/B2: 3.73393  Sterimol/B3: 4.11368
  Sterimol/B4: 6.86654  Sterimol/L: 16.7206 
 
 Surface and Volume Properties
  Accessible surface: 571.731  Positive charged surface: 414.125  Negative charged surface: 157.606  Volume: 311.375
  Hydrophobic surface: 406.844  Hydrophilic surface: 164.887
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.