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CHEMDIV-ZINC06753064

 MMsINC code: MMs01016223
Type: Neutral
Formula: C24H25N3O2
SMILES:   o1cccc1C(=O)NCCCc1nc2c(n1Cc1cc(ccc1C)C)cccc2
InChI:   InChI=1/C24H25N3O2/c1-17-11-12-18(2)19(15-17)16-27-21-8-4-3-7-20(21)26-23(27)10-5-13-25-24(28)22-9-6-14-29-22/h3-4,6-9,11-12,14-15H,5,10,13,16H2,1-2H3,(H,25,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.8971 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.483 g/mol  logS: -6.17499  SlogP: 4.92341  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0853717  Sterimol/B1: 2.13866  Sterimol/B2: 3.08115  Sterimol/B3: 4.75398
  Sterimol/B4: 10.8941  Sterimol/L: 17.7093 
 
 Surface and Volume Properties
  Accessible surface: 682.267  Positive charged surface: 396.009  Negative charged surface: 286.258  Volume: 389.5
  Hydrophobic surface: 589.544  Hydrophilic surface: 92.723
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.