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CHEMDIV-ZINC03038947

 MMsINC code: MMs00906540
Type: Neutral
Formula: C25H29FN2O2
SMILES:   Fc1ccc(cc1)C1N(Cc2ccc(cc2)C)C(=O)CN(C1=O)C1CCCCCC1
InChI:   InChI=1/C25H29FN2O2/c1-18-8-10-19(11-9-18)16-28-23(29)17-27(22-6-4-2-3-5-7-22)25(30)24(28)20-12-14-21(26)15-13-20/h8-15,22,24H,2-7,16-17H2,1H3/t24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=140.87 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.517 g/mol  logS: -6.1636  SlogP: 5.13092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112184  Sterimol/B1: 2.72335  Sterimol/B2: 4.95959  Sterimol/B3: 5.52247
  Sterimol/B4: 5.52397  Sterimol/L: 17.6793 
 
 Surface and Volume Properties
  Accessible surface: 633.552  Positive charged surface: 421.815  Negative charged surface: 211.737  Volume: 402.5
  Hydrophobic surface: 576.587  Hydrophilic surface: 56.965
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.