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PUBCHEM-ZINC06380334

 MMsINC code: MMs03694190
Type: Neutral
Formula: C22H35N3O3
SMILES:   OC1CN(N(CCC)C(=O)N(CCC)C1Cc1ccccc1)C(=O)C(C)(C)C
InChI:   InChI=1/C22H35N3O3/c1-6-13-23-18(15-17-11-9-8-10-12-17)19(26)16-25(20(27)22(3,4)5)24(14-7-2)21(23)28/h8-12,18-19,26H,6-7,13-16H2,1-5H3/t18-,19-/m1/s1

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Potential Energy
Epot(MMFF94)=263.705 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.54 g/mol  logS: -3.01715  SlogP: 3.30587  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.243408  Sterimol/B1: 2.5196  Sterimol/B2: 3.73552  Sterimol/B3: 5.71052
  Sterimol/B4: 8.91369  Sterimol/L: 14.2959 
 
 Surface and Volume Properties
  Accessible surface: 614.242  Positive charged surface: 426.711  Negative charged surface: 187.531  Volume: 393.875
  Hydrophobic surface: 451.922  Hydrophilic surface: 162.32
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.