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CHEMDIV-ZINC04894341

 MMsINC code: MMs00961831
Type: Neutral
Formula: C23H25FN2O2
SMILES:   Fc1ccc(cc1)CN1C(c2c(cccc2)C1=O)C(=O)NC1CCCCCC1
InChI:   InChI=1/C23H25FN2O2/c24-17-13-11-16(12-14-17)15-26-21(19-9-5-6-10-20(19)23(26)28)22(27)25-18-7-3-1-2-4-8-18/h5-6,9-14,18,21H,1-4,7-8,15H2,(H,25,27)/t21-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.5106 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.463 g/mol  logS: -5.76923  SlogP: 4.7237  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121074  Sterimol/B1: 2.35298  Sterimol/B2: 3.15615  Sterimol/B3: 5.37688
  Sterimol/B4: 9.07915  Sterimol/L: 16.5086 
 
 Surface and Volume Properties
  Accessible surface: 643.665  Positive charged surface: 392.345  Negative charged surface: 251.32  Volume: 366.625
  Hydrophobic surface: 585.081  Hydrophilic surface: 58.584
 
 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.