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NCID-ZINC05950364

 MMsINC code: MMs02512722
Type: Neutral
Formula: C20H36N4O6
SMILES:   O=C1NCCN(CCNC(=O)CN(C1)CC(OC(C)(C)C)=O)CC(OC(C)(C)C)=O
InChI:   InChI=1/C20H36N4O6/c1-19(2,3)29-17(27)13-23-9-7-21-15(25)11-24(12-16(26)22-8-10-23)14-18(28)30-20(4,5)6/h7-14H2,1-6H3,(H,21,25)(H,22,26)

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Potential Energy
Epot(MMFF94)=208.508 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 428.53 g/mol  logS: -2.6599  SlogP: -0.4802  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.10853  Sterimol/B1: 2.76204  Sterimol/B2: 2.85153  Sterimol/B3: 5.36336
  Sterimol/B4: 9.20384  Sterimol/L: 16.9424 
 
 Surface and Volume Properties
  Accessible surface: 697.346  Positive charged surface: 542.571  Negative charged surface: 154.775  Volume: 415.5
  Hydrophobic surface: 502.077  Hydrophilic surface: 195.269
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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: 0
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Ions/Tautomers related molecules


MMs02512723
NCID-ZINC05950364