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NCID-ZINC05706631

 MMsINC code: MMs02487356
Type: Neutral
Formula: C10H17N3O5
SMILES:   OC1CC(N(C1)C(=O)CN)C(=O)NC(C(O)=O)C
InChI:   InChI=1/C10H17N3O5/c1-5(10(17)18)12-9(16)7-2-6(14)4-13(7)8(15)3-11/h5-7,14H,2-4,11H2,1H3,(H,12,16)(H,17,18)/t5-,6+,7+/m1/s1

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Potential Energy
Epot(MMFF94)=86.8374 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.262 g/mol  logS: 0.00783  SlogP: -2.5038  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0972231  Sterimol/B1: 2.19084  Sterimol/B2: 4.85029  Sterimol/B3: 5.0881
  Sterimol/B4: 5.61638  Sterimol/L: 12.8448 
 
 Surface and Volume Properties
  Accessible surface: 477.545  Positive charged surface: 343.484  Negative charged surface: 134.06  Volume: 231.375
  Hydrophobic surface: 199.528  Hydrophilic surface: 278.017
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.