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NCID-ZINC04795964

 MMsINC code: MMs02406929
Type: Neutral
Formula: C24H34N4O2
SMILES:   O=C(NCc1ccc(cc1)C)NCCCCCCNC(=O)NCc1ccc(cc1)C
InChI:   InChI=1/C24H34N4O2/c1-19-7-11-21(12-8-19)17-27-23(29)25-15-5-3-4-6-16-26-24(30)28-18-22-13-9-20(2)10-14-22/h7-14H,3-6,15-18H2,1-2H3,(H2,25,27,29)(H2,26,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-12.8644 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.562 g/mol  logS: -4.90884  SlogP: 4.69524  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0150784  Sterimol/B1: 2.73859  Sterimol/B2: 3.61714  Sterimol/B3: 3.62024
  Sterimol/B4: 5.80707  Sterimol/L: 29.9289 
 
 Surface and Volume Properties
  Accessible surface: 847.905  Positive charged surface: 586.321  Negative charged surface: 261.584  Volume: 432.75
  Hydrophobic surface: 694.514  Hydrophilic surface: 153.391
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.