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NCID-ZINC01579826

 MMsINC code: MMs02237545
Type: Neutral
Formula: C11H23N5O3
SMILES:   OC(=O)C(NC(=O)C(N)CCCNC(N)=N)C(C)C
InChI:   InChI=1/C11H23N5O3/c1-6(2)8(10(18)19)16-9(17)7(12)4-3-5-15-11(13)14/h6-8H,3-5,12H2,1-2H3,(H,16,17)(H,18,19)(H4,13,14,15)/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=7.59715 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.337 g/mol  logS: -0.90514  SlogP: -1.19763  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0557131  Sterimol/B1: 2.83048  Sterimol/B2: 4.04831  Sterimol/B3: 4.69216
  Sterimol/B4: 4.70958  Sterimol/L: 16.9506 
 
 Surface and Volume Properties
  Accessible surface: 536.734  Positive charged surface: 389.153  Negative charged surface: 147.581  Volume: 264.375
  Hydrophobic surface: 195.939  Hydrophilic surface: 340.795
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02237546
NCID-ZINC01579826