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ENAMINE-ZINC03520063

 MMsINC code: MMs01488304
Type: Neutral
Formula: C18H29N3O3
SMILES:   O=C1N(CC(=O)NCC2CCCCC2)C(=O)NC1C1CCCCC1
InChI:   InChI=1/C18H29N3O3/c22-15(19-11-13-7-3-1-4-8-13)12-21-17(23)16(20-18(21)24)14-9-5-2-6-10-14/h13-14,16H,1-12H2,(H,19,22)(H,20,24)/t16-/m1/s1

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Potential Energy
Epot(MMFF94)=11.7635 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.448 g/mol  logS: -4.5558  SlogP: 2.1836  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0350142  Sterimol/B1: 3.58522  Sterimol/B2: 3.85436  Sterimol/B3: 3.86639
  Sterimol/B4: 4.26165  Sterimol/L: 19.4082 
 
 Surface and Volume Properties
  Accessible surface: 610.991  Positive charged surface: 456.387  Negative charged surface: 154.604  Volume: 333.625
  Hydrophobic surface: 480.111  Hydrophilic surface: 130.88
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.