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PUBCHEM-ZINC02999503

 MMsINC code: MMs02977873
Type: Neutral
Formula: C24H25NO2
SMILES:   Oc1c2c(ccc1C(NC(=O)C1CCCCC1)c1ccccc1)cccc2
InChI:   InChI=1/C24H25NO2/c26-23-20-14-8-7-9-17(20)15-16-21(23)22(18-10-3-1-4-11-18)25-24(27)19-12-5-2-6-13-19/h1,3-4,7-11,14-16,19,22,26H,2,5-6,12-13H2,(H,25,27)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.7644 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.469 g/mol  logS: -6.66936  SlogP: 5.4268  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123518  Sterimol/B1: 2.45488  Sterimol/B2: 3.2056  Sterimol/B3: 5.26024
  Sterimol/B4: 8.82486  Sterimol/L: 17.0219 
 
 Surface and Volume Properties
  Accessible surface: 628.439  Positive charged surface: 391.667  Negative charged surface: 226.502  Volume: 365.375
  Hydrophobic surface: 577.42  Hydrophilic surface: 51.019
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.