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ASINEX-ZINC04186443

 MMsINC code: MMs00316072
Type: Neutral
Formula: C14H25N3O7
SMILES:   O(C(C)(C)C)C(=O)NCC(=O)NC(C(=O)NC(C(OC)=O)CO)C
InChI:   InChI=1/C14H25N3O7/c1-8(11(20)17-9(7-18)12(21)23-5)16-10(19)6-15-13(22)24-14(2,3)4/h8-9,18H,6-7H2,1-5H3,(H,15,22)(H,16,19)(H,17,20)/t8-,9+/m0/s1

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Potential Energy
Epot(MMFF94)=62.2916 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.368 g/mol  logS: -1.69954  SlogP: -1.3341  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0383969  Sterimol/B1: 2.15695  Sterimol/B2: 2.44604  Sterimol/B3: 4.86166
  Sterimol/B4: 5.97301  Sterimol/L: 21.145 
 
 Surface and Volume Properties
  Accessible surface: 649.718  Positive charged surface: 477.308  Negative charged surface: 172.41  Volume: 320.875
  Hydrophobic surface: 370.563  Hydrophilic surface: 279.155
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.