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NCID-ZINC01607107

 MMsINC code: MMs02258929
Type: Neutral
Formula: C11H22N4O3
SMILES:   O=C(NCC(=O)NC(C(=O)N)C)C(N)CC(C)C
InChI:   InChI=1/C11H22N4O3/c1-6(2)4-8(12)11(18)14-5-9(16)15-7(3)10(13)17/h6-8H,4-5,12H2,1-3H3,(H2,13,17)(H,14,18)(H,15,16)/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=54.1446 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.322 g/mol  logS: -1.79223  SlogP: -1.534  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.051474  Sterimol/B1: 2.1716  Sterimol/B2: 2.66409  Sterimol/B3: 4.75652
  Sterimol/B4: 5.5585  Sterimol/L: 16.5739 
 
 Surface and Volume Properties
  Accessible surface: 528.541  Positive charged surface: 372.394  Negative charged surface: 156.147  Volume: 255.5
  Hydrophobic surface: 230.228  Hydrophilic surface: 298.313
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02258930
NCID-ZINC01607107