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CHEMDIV-ZINC03039195

 MMsINC code: MMs00906617
Type: Neutral
Formula: C26H32N2O3
SMILES:   O(C)c1ccc(cc1)CN1C(c2ccc(cc2)C)C(=O)N(CC1=O)C1CCCCCC1
InChI:   InChI=1/C26H32N2O3/c1-19-9-13-21(14-10-19)25-26(30)27(22-7-5-3-4-6-8-22)18-24(29)28(25)17-20-11-15-23(31-2)16-12-20/h9-16,22,25H,3-8,17-18H2,1-2H3/t25-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=154.812 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.553 g/mol  logS: -5.919  SlogP: 5.00042  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0978542  Sterimol/B1: 2.35051  Sterimol/B2: 3.60773  Sterimol/B3: 4.64434
  Sterimol/B4: 8.8347  Sterimol/L: 18.1367 
 
 Surface and Volume Properties
  Accessible surface: 652.374  Positive charged surface: 474.063  Negative charged surface: 178.311  Volume: 425.125
  Hydrophobic surface: 583.849  Hydrophilic surface: 68.525
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.