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ENAMINE-ZINC03463599

 MMsINC code: MMs01458403
Type: Neutral
Formula: C18H29N3O4
SMILES:   O1C(CN(CC1C)C(=O)CN1C(=O)C2(NC1=O)CCCCCCC2)C
InChI:   InChI=1/C18H29N3O4/c1-13-10-20(11-14(2)25-13)15(22)12-21-16(23)18(19-17(21)24)8-6-4-3-5-7-9-18/h13-14H,3-12H2,1-2H3,(H,19,24)/t13-,14+

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Potential Energy
Epot(MMFF94)=107.003 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.447 g/mol  logS: -3.54855  SlogP: 1.6571  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0607678  Sterimol/B1: 2.4376  Sterimol/B2: 3.00732  Sterimol/B3: 4.86202
  Sterimol/B4: 7.12569  Sterimol/L: 16.8141 
 
 Surface and Volume Properties
  Accessible surface: 599.445  Positive charged surface: 429.924  Negative charged surface: 169.52  Volume: 339.125
  Hydrophobic surface: 439.069  Hydrophilic surface: 160.376
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.