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PUBCHEM-ZINC04624043

MMsINC code: MMs03142797

Type: Neutral
Formula: C23H25FN2O3
SMILES:   Fc1ccccc1C1N(CCN(C)C)C(=O)C(=O)C1C(=O)c1cc(ccc1C)C
InChI:   InChI=1/C23H25FN2O3/c1-14-9-10-15(2)17(13-14)21(27)19-20(16-7-5-6-8-18(16)24)26(12-11-25(3)4)23(29)22(19)28/h5-10,13,19-20H,11-12H2,1-4H3/t19-,20-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=108.253 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.462 g/mol  logS: -4.90165  SlogP: 3.05114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.183772  Sterimol/B1: 2.13382  Sterimol/B2: 3.6706  Sterimol/B3: 6.77007
  Sterimol/B4: 9.02229  Sterimol/L: 15.9467 
 
 Surface and Volume Properties
  Accessible surface: 626.228  Positive charged surface: 420.521  Negative charged surface: 205.707  Volume: 380.875
  Hydrophobic surface: 530.625  Hydrophilic surface: 95.603
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1

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Ions/Tautomers related molecules


MMs03142798
PUBCHEM-ZINC04624043