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ASINEX-ZINC01807757

 MMsINC code: MMs00258155
Type: Neutral
Formula: C27H29NO3
SMILES:   O(C(=O)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1)CCCCCC
InChI:   InChI=1/C27H29NO3/c1-2-3-4-11-20-31-27(30)23-16-18-24(19-17-23)28-26(29)25(21-12-7-5-8-13-21)22-14-9-6-10-15-22/h5-10,12-19,25H,2-4,11,20H2,1H3,(H,28,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=116.572 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 415.533 g/mol  logS: -7.51517  SlogP: 6.1943  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0310069  Sterimol/B1: 3.99902  Sterimol/B2: 4.08078  Sterimol/B3: 5.32579
  Sterimol/B4: 5.96062  Sterimol/L: 23.4902 
 
 Surface and Volume Properties
  Accessible surface: 779.027  Positive charged surface: 494.506  Negative charged surface: 284.52  Volume: 428.875
  Hydrophobic surface: 693.145  Hydrophilic surface: 85.882
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.