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PUBCHEM-ZINC04587925

 MMsINC code: MMs03138056
Type: Neutral
Formula: C24H28FN3O2
SMILES:   Fc1ccccc1C1=NOC(C1)CN(Cc1ccccc1)C(=O)NC1CCCCC1
InChI:   InChI=1/C24H28FN3O2/c25-22-14-8-7-13-21(22)23-15-20(30-27-23)17-28(16-18-9-3-1-4-10-18)24(29)26-19-11-5-2-6-12-19/h1,3-4,7-10,13-14,19-20H,2,5-6,11-12,15-17H2,(H,26,29)/t20-/m1/s1

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Potential Energy
Epot(MMFF94)=57.3981 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.505 g/mol  logS: -5.38992  SlogP: 5.1296  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0532717  Sterimol/B1: 2.41101  Sterimol/B2: 3.25105  Sterimol/B3: 4.39717
  Sterimol/B4: 11.1992  Sterimol/L: 19.3624 
 
 Surface and Volume Properties
  Accessible surface: 701.235  Positive charged surface: 436.258  Negative charged surface: 264.977  Volume: 403.875
  Hydrophobic surface: 636.635  Hydrophilic surface: 64.6
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.