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NANOSIN-ZINC04745455

 MMsINC code: MMs02210876
Type: Neutral
Formula: C14H24N4O5
SMILES:   O1CCNC(=O)CNC(=O)CCCCC(=O)NCC(=O)NCC1
InChI:   InChI=1/C14H24N4O5/c19-11-3-1-2-4-12(20)18-10-14(22)16-6-8-23-7-5-15-13(21)9-17-11/h1-10H2,(H,15,21)(H,16,22)(H,17,19)(H,18,20)

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Potential Energy
Epot(MMFF94)=70.4466 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.369 g/mol  logS: -0.73968  SlogP: -1.9582  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0882583  Sterimol/B1: 2.7997  Sterimol/B2: 3.62914  Sterimol/B3: 4.54747
  Sterimol/B4: 7.61571  Sterimol/L: 13.1395 
 
 Surface and Volume Properties
  Accessible surface: 537.047  Positive charged surface: 448.538  Negative charged surface: 88.5083  Volume: 306.625
  Hydrophobic surface: 345.285  Hydrophilic surface: 191.762
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.