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ENAMINE-ZINC03362686

 MMsINC code: MMs01396718
Type: Neutral
Formula: C14H25N3O2
SMILES:   O=C1N(CN(CC)CC)C(=O)NC12CCC(CC2)C
InChI:   InChI=1/C14H25N3O2/c1-4-16(5-2)10-17-12(18)14(15-13(17)19)8-6-11(3)7-9-14/h11H,4-10H2,1-3H3,(H,15,19)/t11-,14+

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Potential Energy
Epot(MMFF94)=6.92199 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.373 g/mol  logS: -2.27866  SlogP: 1.7864  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107382  Sterimol/B1: 2.50733  Sterimol/B2: 2.78506  Sterimol/B3: 4.86834
  Sterimol/B4: 6.31392  Sterimol/L: 14.1659 
 
 Surface and Volume Properties
  Accessible surface: 498.224  Positive charged surface: 368.741  Negative charged surface: 129.483  Volume: 274.375
  Hydrophobic surface: 357.828  Hydrophilic surface: 140.396
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.