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ENAMINE-ZINC03531941

 MMsINC code: MMs01494199
Type: Neutral
Formula: C18H29N3O3
SMILES:   O=C1N(CC(=O)NC2CCCCC2C)C(=O)NC12CCCCCC2
InChI:   InChI=1/C18H29N3O3/c1-13-8-4-5-9-14(13)19-15(22)12-21-16(23)18(20-17(21)24)10-6-2-3-7-11-18/h13-14H,2-12H2,1H3,(H,19,22)(H,20,24)/t13-,14+/m0/s1

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Potential Energy
Epot(MMFF94)=46.3068 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.448 g/mol  logS: -3.86633  SlogP: 2.3261  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0671501  Sterimol/B1: 2.43145  Sterimol/B2: 3.03775  Sterimol/B3: 4.59863
  Sterimol/B4: 6.57807  Sterimol/L: 16.5505 
 
 Surface and Volume Properties
  Accessible surface: 582.492  Positive charged surface: 418.975  Negative charged surface: 163.517  Volume: 330.875
  Hydrophobic surface: 455.553  Hydrophilic surface: 126.939
 
 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.