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PUBCHEM-ZINC04717164

 MMsINC code: MMs03162700
Type: Neutral
Formula: C23H35N3O2
SMILES:   O=C(N1CCc2c(cccc2)C1C)CN(CCCC)C(=O)NC1CCCCC1
InChI:   InChI=1/C23H35N3O2/c1-3-4-15-25(23(28)24-20-11-6-5-7-12-20)17-22(27)26-16-14-19-10-8-9-13-21(19)18(26)2/h8-10,13,18,20H,3-7,11-12,14-17H2,1-2H3,(H,24,28)/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.2188 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.552 g/mol  logS: -4.35924  SlogP: 4.37217  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0961243  Sterimol/B1: 2.339  Sterimol/B2: 3.58049  Sterimol/B3: 4.52534
  Sterimol/B4: 10.3983  Sterimol/L: 17.2907 
 
 Surface and Volume Properties
  Accessible surface: 715.376  Positive charged surface: 511.736  Negative charged surface: 203.64  Volume: 406.5
  Hydrophobic surface: 627.39  Hydrophilic surface: 87.986
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.