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CHEMDIV-ZINC00217278

 MMsINC code: MMs00842166
Type: Neutral
Formula: C20H25FN2O2
SMILES:   Fc1ccc(cc1)C1N(C2CC2)C(=O)CN(C1=O)C1CCC(CC1)C
InChI:   InChI=1/C20H25FN2O2/c1-13-2-8-16(9-3-13)22-12-18(24)23(17-10-11-17)19(20(22)25)14-4-6-15(21)7-5-14/h4-7,13,16-17,19H,2-3,8-12H2,1H3/t13-,16-,19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.43 g/mol  logS: -4.47416  SlogP: 3.3742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136973  Sterimol/B1: 3.18226  Sterimol/B2: 4.74405  Sterimol/B3: 5.61599
  Sterimol/B4: 5.66345  Sterimol/L: 14.811 
 
 Surface and Volume Properties
  Accessible surface: 578.279  Positive charged surface: 380.599  Negative charged surface: 197.681  Volume: 336.25
  Hydrophobic surface: 470.156  Hydrophilic surface: 108.123
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.