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NCID-ZINC01665716

 MMsINC code: MMs02301859
Type: Neutral
Formula: C10H19NO3
SMILES:   OC(=O)C(NC(=O)CCCC)C(C)C
InChI:   InChI=1/C10H19NO3/c1-4-5-6-8(12)11-9(7(2)3)10(13)14/h7,9H,4-6H2,1-3H3,(H,11,12)(H,13,14)/t9-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.6335 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.266 g/mol  logS: -1.72927  SlogP: 1.402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0519506  Sterimol/B1: 2.56273  Sterimol/B2: 3.33631  Sterimol/B3: 3.73102
  Sterimol/B4: 4.91022  Sterimol/L: 13.9282 
 
 Surface and Volume Properties
  Accessible surface: 433.053  Positive charged surface: 313.368  Negative charged surface: 119.684  Volume: 206
  Hydrophobic surface: 261.125  Hydrophilic surface: 171.928
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs02301860
NCID-ZINC01665716