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ANALYTICONDISCOVERY-ZINC04277786

 MMsINC code: MMs00035315
Type: Neutral
Formula: C23H34N4O7
SMILES:   O(C)c1ccc(cc1)CC(NC(=O)C1N(CCN(C1)C(=O)NC(C)C)C(=O)COC)C(OC)
=O
InChI:   InChI=1/C23H34N4O7/c1-15(2)24-23(31)26-10-11-27(20(28)14-32-3)19(13-26)21(29)25-18(22(30)34-5)12-16-6-8-17(33-4)9-7-16/h6-9,15,18-19H,10-14H2,1-5H3,(H,24,31)(H,25,29)/t18-,19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=146.471 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 478.546 g/mol  logS: -2.97131  SlogP: 0.17267  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0884422  Sterimol/B1: 2.91827  Sterimol/B2: 5.46512  Sterimol/B3: 5.70977
  Sterimol/B4: 9.36459  Sterimol/L: 18.7257 
 
 Surface and Volume Properties
  Accessible surface: 780.91  Positive charged surface: 613.284  Negative charged surface: 167.625  Volume: 455.125
  Hydrophobic surface: 634.357  Hydrophilic surface: 146.553
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.