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NCID-ZINC01757930

 MMsINC code: MMs02365669
Type: Neutral
Formula: C10H15N3O4S
SMILES:   S(CCC(NCC=1NC(=O)NC(=O)C=1)C(O)=O)C
InChI:   InChI=1/C10H15N3O4S/c1-18-3-2-7(9(15)16)11-5-6-4-8(14)13-10(17)12-6/h4,7,11H,2-3,5H2,1H3,(H,15,16)(H2,12,13,14,17)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=8.52775 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.313 g/mol  logS: -1.66828  SlogP: -0.4944  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0493045  Sterimol/B1: 2.41344  Sterimol/B2: 3.0332  Sterimol/B3: 3.28295
  Sterimol/B4: 8.80872  Sterimol/L: 14.0811 
 
 Surface and Volume Properties
  Accessible surface: 495.925  Positive charged surface: 283.067  Negative charged surface: 212.857  Volume: 236
  Hydrophobic surface: 203.322  Hydrophilic surface: 292.603
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.