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ENAMINE-ZINC05791558

 MMsINC code: MMs01639016
Type: Neutral
Formula: C20H25F2N3O3
SMILES:   Fc1ccc(F)cc1C1(NC(=O)N(CC(=O)NC2CCCC(C)C2C)C1=O)C
InChI:   InChI=1/C20H25F2N3O3/c1-11-5-4-6-16(12(11)2)23-17(26)10-25-18(27)20(3,24-19(25)28)14-9-13(21)7-8-15(14)22/h7-9,11-12,16H,4-6,10H2,1-3H3,(H,23,26)(H,24,28)/t11-,12+,16-,20+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.1395 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.434 g/mol  logS: -5.08026  SlogP: 2.9842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.073981  Sterimol/B1: 2.76316  Sterimol/B2: 3.03661  Sterimol/B3: 5.20074
  Sterimol/B4: 5.82032  Sterimol/L: 17.8104 
 
 Surface and Volume Properties
  Accessible surface: 626.098  Positive charged surface: 379.377  Negative charged surface: 246.721  Volume: 356.875
  Hydrophobic surface: 466.204  Hydrophilic surface: 159.894
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.