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ENAMINE-ZINC05450224

 MMsINC code: MMs01615677
Type: Neutral
Formula: C19H23N3O6
SMILES:   O1C(CN(CC1C)C(=O)CN1C(=O)C(NC1=O)(C)c1cc2OCOc2cc1)C
InChI:   InChI=1/C19H23N3O6/c1-11-7-21(8-12(2)28-11)16(23)9-22-17(24)19(3,20-18(22)25)13-4-5-14-15(6-13)27-10-26-14/h4-6,11-12H,7-10H2,1-3H3,(H,20,25)/t11-,12-,19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.4327 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.408 g/mol  logS: -3.09718  SlogP: 1.1296  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0699868  Sterimol/B1: 3.11102  Sterimol/B2: 3.44066  Sterimol/B3: 5.16576
  Sterimol/B4: 5.27214  Sterimol/L: 19.0931 
 
 Surface and Volume Properties
  Accessible surface: 627.971  Positive charged surface: 424.233  Negative charged surface: 203.738  Volume: 349.375
  Hydrophobic surface: 395.985  Hydrophilic surface: 231.986
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.