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ANALYTICONDISCOVERY-ZINC03840198

 MMsINC code: MMs00027074
Type: Neutral
Formula: C19H34N4O6
SMILES:   OC1C(NC(=O)C(NC)CC(C)C)CC(O)(CC1O)C(=O)NC1CCCNC1=O
InChI:   InChI=1/C19H34N4O6/c1-10(2)7-12(20-3)17(27)22-13-8-19(29,9-14(24)15(13)25)18(28)23-11-5-4-6-21-16(11)26/h10-15,20,24-25,29H,4-9H2,1-3H3,(H,21,26)(H,22,27)(H,23,28)/t11-,12-,13-,14+,15+,19-/m0/s1

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Potential Energy
Epot(MMFF94)=107.25 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.503 g/mol  logS: -1.93175  SlogP: -2.2532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0666904  Sterimol/B1: 2.55391  Sterimol/B2: 5.14319  Sterimol/B3: 5.64264
  Sterimol/B4: 6.17156  Sterimol/L: 19.814 
 
 Surface and Volume Properties
  Accessible surface: 706.323  Positive charged surface: 548.878  Negative charged surface: 157.444  Volume: 393.125
  Hydrophobic surface: 431.438  Hydrophilic surface: 274.885
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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.