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ENAMINE-ZINC03505403

 MMsINC code: MMs01479399
Type: Neutral
Formula: C16H25N3O3
SMILES:   O=C1N(CC(=O)N2CCCCC2C)C(=O)NC12CCCCC2
InChI:   InChI=1/C16H25N3O3/c1-12-7-3-6-10-18(12)13(20)11-19-14(21)16(17-15(19)22)8-4-2-5-9-16/h12H,2-11H2,1H3,(H,17,22)/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=44.1486 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.394 g/mol  logS: -2.65357  SlogP: 1.6421  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0715727  Sterimol/B1: 2.36303  Sterimol/B2: 3.90207  Sterimol/B3: 4.08624
  Sterimol/B4: 6.22113  Sterimol/L: 15.7996 
 
 Surface and Volume Properties
  Accessible surface: 533.16  Positive charged surface: 397.583  Negative charged surface: 135.577  Volume: 296.125
  Hydrophobic surface: 422.976  Hydrophilic surface: 110.184
 
 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.