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CHEMDIV-ZINC03044632

 MMsINC code: MMs00907337
Type: Neutral
Formula: C23H25FN2O2
SMILES:   Fc1ccc(cc1)CN1C(c2c(cccc2)C1=O)C(=O)NC1CCC(CC1)C
InChI:   InChI=1/C23H25FN2O2/c1-15-6-12-18(13-7-15)25-22(27)21-19-4-2-3-5-20(19)23(28)26(21)14-16-8-10-17(24)11-9-16/h2-5,8-11,15,18,21H,6-7,12-14H2,1H3,(H,25,27)/t15-,18+,21-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.0405 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.463 g/mol  logS: -5.76923  SlogP: 4.5796  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14152  Sterimol/B1: 2.15883  Sterimol/B2: 3.61157  Sterimol/B3: 5.76228
  Sterimol/B4: 9.01436  Sterimol/L: 15.3752 
 
 Surface and Volume Properties
  Accessible surface: 630.887  Positive charged surface: 377.985  Negative charged surface: 252.902  Volume: 370.25
  Hydrophobic surface: 553.108  Hydrophilic surface: 77.779
 
 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.