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NCID-ZINC01581055

 MMsINC code: MMs02238493
Type: Neutral
Formula: C18H26N2O4
SMILES:   O(C(=O)C(C(OCC)=O)=CNc1ccc(N(CC)CC)cc1)CC
InChI:   InChI=1/C18H26N2O4/c1-5-20(6-2)15-11-9-14(10-12-15)19-13-16(17(21)23-7-3)18(22)24-8-4/h9-13,19H,5-8H2,1-4H3

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Potential Energy
Epot(MMFF94)=74.553 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.416 g/mol  logS: -3.51609  SlogP: 2.9548  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0266735  Sterimol/B1: 2.03335  Sterimol/B2: 2.78723  Sterimol/B3: 4.81591
  Sterimol/B4: 6.96434  Sterimol/L: 17.7018 
 
 Surface and Volume Properties
  Accessible surface: 636.607  Positive charged surface: 444.023  Negative charged surface: 192.585  Volume: 342.125
  Hydrophobic surface: 463.789  Hydrophilic surface: 172.818
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.