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IBS-ZINC04149419

 MMsINC code: MMs01881848
Type: Neutral
Formula: C18H29N3O5
SMILES:   O=C1N(C)C(=O)N(C)C(=O)C1=CNCCCCCCCCCCC(O)=O
InChI:   InChI=1/C18H29N3O5/c1-20-16(24)14(17(25)21(2)18(20)26)13-19-12-10-8-6-4-3-5-7-9-11-15(22)23/h13,19H,3-12H2,1-2H3,(H,22,23)

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Potential Energy
Epot(MMFF94)=-5.73638 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.446 g/mol  logS: -3.42408  SlogP: 2.1058  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00842302  Sterimol/B1: 2.45211  Sterimol/B2: 2.68135  Sterimol/B3: 2.99696
  Sterimol/B4: 6.17869  Sterimol/L: 25.1126 
 
 Surface and Volume Properties
  Accessible surface: 707.66  Positive charged surface: 543.651  Negative charged surface: 164.009  Volume: 361.625
  Hydrophobic surface: 502.339  Hydrophilic surface: 205.321
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs01881849
IBS-ZINC04149419