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CHEMDIV-ZINC03038971

 MMsINC code: MMs00906560
Type: Neutral
Formula: C25H29FN2O2
SMILES:   Fc1ccccc1C1N(C(C)c2ccccc2)C(=O)CN(C1=O)C1CCCCCC1
InChI:   InChI=1/C25H29FN2O2/c1-18(19-11-5-4-6-12-19)28-23(29)17-27(20-13-7-2-3-8-14-20)25(30)24(28)21-15-9-10-16-22(21)26/h4-6,9-12,15-16,18,20,24H,2-3,7-8,13-14,17H2,1H3/t18-,24+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=155.412 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.517 g/mol  logS: -6.01689  SlogP: 5.2126  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11874  Sterimol/B1: 2.83976  Sterimol/B2: 5.27243  Sterimol/B3: 6.83042
  Sterimol/B4: 7.28873  Sterimol/L: 15.6135 
 
 Surface and Volume Properties
  Accessible surface: 647.399  Positive charged surface: 405.397  Negative charged surface: 242.002  Volume: 399
  Hydrophobic surface: 600.388  Hydrophilic surface: 47.011
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.