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ANALYTICONDISCOVERY-ZINC08295000

 MMsINC code: MMs00039084
Type: Neutral
Formula: C19H30N4O5
SMILES:   OC1C(NC(=O)NC2CCCCC2)C=C(CC1O)C(=O)NC1CCCNC1=O
InChI:   InChI=1/C19H30N4O5/c24-15-10-11(17(26)22-13-7-4-8-20-18(13)27)9-14(16(15)25)23-19(28)21-12-5-2-1-3-6-12/h9,12-16,24-25H,1-8,10H2,(H,20,27)(H,22,26)(H2,21,23,28)/t13-,14+,15+,16+/m0/s1

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Potential Energy
Epot(MMFF94)=32.5881 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.472 g/mol  logS: -2.11408  SlogP: -0.5664  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0485665  Sterimol/B1: 3.08164  Sterimol/B2: 3.49586  Sterimol/B3: 3.51119
  Sterimol/B4: 8.02875  Sterimol/L: 19.3608 
 
 Surface and Volume Properties
  Accessible surface: 680.822  Positive charged surface: 516.125  Negative charged surface: 164.697  Volume: 370.625
  Hydrophobic surface: 440.431  Hydrophilic surface: 240.391
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.