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ANALYTICONDISCOVERY-ZINC05397673

 MMsINC code: MMs00036070
Type: Neutral
Formula: C18H29N3O5
SMILES:   O(C(=O)C(NC(=O)C1N(CCN(C1)C(=O)C)C(=O)C1CCCCC1)C)C
InChI:   InChI=1/C18H29N3O5/c1-12(18(25)26-3)19-16(23)15-11-20(13(2)22)9-10-21(15)17(24)14-7-5-4-6-8-14/h12,14-15H,4-11H2,1-3H3,(H,19,23)/t12-,15-/m1/s1

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Potential Energy
Epot(MMFF94)=133.614 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.446 g/mol  logS: -2.64237  SlogP: 0.3037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0589076  Sterimol/B1: 3.07019  Sterimol/B2: 3.11487  Sterimol/B3: 3.68003
  Sterimol/B4: 10.2389  Sterimol/L: 16.5323 
 
 Surface and Volume Properties
  Accessible surface: 627.344  Positive charged surface: 482.608  Negative charged surface: 144.736  Volume: 349.625
  Hydrophobic surface: 497.944  Hydrophilic surface: 129.4
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.