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CHEMDIV-ZINC04035833

 MMsINC code: MMs00923937
Type: Neutral
Formula: C23H34N2O4
SMILES:   O(CCC)c1ccc(cc1OC)C1N(CCC)C(=O)CN(C1=O)C1CCCCC1
InChI:   InChI=1/C23H34N2O4/c1-4-13-24-21(26)16-25(18-9-7-6-8-10-18)23(27)22(24)17-11-12-19(29-14-5-2)20(15-17)28-3/h11-12,15,18,22H,4-10,13-14,16H2,1-3H3/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=132.631 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.535 g/mol  logS: -4.2703  SlogP: 4.0341  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.205285  Sterimol/B1: 2.17167  Sterimol/B2: 4.41907  Sterimol/B3: 6.66037
  Sterimol/B4: 12.0194  Sterimol/L: 17.3246 
 
 Surface and Volume Properties
  Accessible surface: 720.653  Positive charged surface: 557.063  Negative charged surface: 163.591  Volume: 410.25
  Hydrophobic surface: 613.929  Hydrophilic surface: 106.724
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.