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ENAMINE-ZINC03516784

 MMsINC code: MMs01486552
Type: Neutral
Formula: C14H22N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NCC)C(=O)NC12CCCCC2C
InChI:   InChI=1/C14H22N4O4/c1-3-15-12(21)16-10(19)8-18-11(20)14(17-13(18)22)7-5-4-6-9(14)2/h9H,3-8H2,1-2H3,(H,17,22)(H2,15,16,19,21)/t9-,14-/m1/s1

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Potential Energy
Epot(MMFF94)=8.3435 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.354 g/mol  logS: -2.43571  SlogP: 0.3328  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0651487  Sterimol/B1: 3.01865  Sterimol/B2: 4.18842  Sterimol/B3: 4.34831
  Sterimol/B4: 4.56173  Sterimol/L: 16.6264 
 
 Surface and Volume Properties
  Accessible surface: 544.998  Positive charged surface: 387.127  Negative charged surface: 157.871  Volume: 284.125
  Hydrophobic surface: 329.011  Hydrophilic surface: 215.987
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.