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NCID-ZINC05441073

 MMsINC code: MMs02463451
Type: Neutral
Formula: C10H18ClN3O7
SMILES:   ClCCN(N=O)C(=O)NCC1OC(OC)C(O)C(O)C1O
InChI:   InChI=1/C10H18ClN3O7/c1-20-9-8(17)7(16)6(15)5(21-9)4-12-10(18)14(13-19)3-2-11/h5-9,15-17H,2-4H2,1H3,(H,12,18)/t5-,6+,7+,8+,9+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.9025 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.721 g/mol  logS: -0.51019  SlogP: -1.6278  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0707768  Sterimol/B1: 2.16459  Sterimol/B2: 2.56496  Sterimol/B3: 4.33074
  Sterimol/B4: 7.22605  Sterimol/L: 16.1777 
 
 Surface and Volume Properties
  Accessible surface: 531.952  Positive charged surface: 342.399  Negative charged surface: 189.553  Volume: 268.75
  Hydrophobic surface: 293.234  Hydrophilic surface: 238.718
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.