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NCID-ZINC01631057

 MMsINC code: MMs02276125
Type: Neutral
Formula: C10H19NO4
SMILES:   OC(=O)C(N)C(CCCCC)CC(O)=O
InChI:   InChI=1/C10H19NO4/c1-2-3-4-5-7(6-8(12)13)9(11)10(14)15/h7,9H,2-6,11H2,1H3,(H,12,13)(H,14,15)/t7-,9-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.9604 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.265 g/mol  logS: -1.61992  SlogP: 1.0695  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132311  Sterimol/B1: 3.83731  Sterimol/B2: 3.85346  Sterimol/B3: 4.39318
  Sterimol/B4: 4.69446  Sterimol/L: 12.7283 
 
 Surface and Volume Properties
  Accessible surface: 446.09  Positive charged surface: 310.824  Negative charged surface: 135.266  Volume: 212.625
  Hydrophobic surface: 207.308  Hydrophilic surface: 238.782
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02276126
NCID-ZINC01631057