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ASINEX-ZINC04354367

 MMsINC code: MMs00326815
Type: Neutral
Formula: C18H32N4O5
SMILES:   O(C(C)(C)C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NCC(=O)N
InChI:   InChI=1/C18H32N4O5/c1-11(2)9-12(15(24)20-10-14(19)23)21-16(25)13-7-6-8-22(13)17(26)27-18(3,4)5/h11-13H,6-10H2,1-5H3,(H2,19,23)(H,20,24)(H,21,25)/t12-,13+/m0/s1

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Potential Energy
Epot(MMFF94)=87.5973 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.477 g/mol  logS: -3.45107  SlogP: 0.5183  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147472  Sterimol/B1: 2.18702  Sterimol/B2: 2.76852  Sterimol/B3: 6.20594
  Sterimol/B4: 8.56258  Sterimol/L: 17.8163 
 
 Surface and Volume Properties
  Accessible surface: 686.148  Positive charged surface: 504.757  Negative charged surface: 181.391  Volume: 375.75
  Hydrophobic surface: 419.996  Hydrophilic surface: 266.152
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.