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ASINEX-ZINC00798549

 MMsINC code: MMs00169008
Type: Neutral
Formula: C25H30N2O2
SMILES:   O=C(N1CCC(CC1)C(=O)NC1CCCCC1)c1ccc(cc1)-c1ccccc1
InChI:   InChI=1/C25H30N2O2/c28-24(26-23-9-5-2-6-10-23)21-15-17-27(18-16-21)25(29)22-13-11-20(12-14-22)19-7-3-1-4-8-19/h1,3-4,7-8,11-14,21,23H,2,5-6,9-10,15-18H2,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.2267 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.527 g/mol  logS: -5.80397  SlogP: 4.6547  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0672267  Sterimol/B1: 2.25812  Sterimol/B2: 3.58667  Sterimol/B3: 4.02458
  Sterimol/B4: 9.14749  Sterimol/L: 19.1757 
 
 Surface and Volume Properties
  Accessible surface: 698.961  Positive charged surface: 457.716  Negative charged surface: 231.646  Volume: 403.5
  Hydrophobic surface: 632.147  Hydrophilic surface: 66.814
 
 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.