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NCID-ZINC01716296

 MMsINC code: MMs02341931
Type: Neutral
Formula: C10H19NO3
SMILES:   O(C(=O)C(=O)N(CCC)CCC)CC
InChI:   InChI=1/C10H19NO3/c1-4-7-11(8-5-2)9(12)10(13)14-6-3/h4-8H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.97 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.266 g/mol  logS: -1.45046  SlogP: 1.1981  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0644147  Sterimol/B1: 2.22513  Sterimol/B2: 2.75581  Sterimol/B3: 2.95399
  Sterimol/B4: 7.57396  Sterimol/L: 13.8679 
 
 Surface and Volume Properties
  Accessible surface: 456.248  Positive charged surface: 334.508  Negative charged surface: 121.74  Volume: 212.875
  Hydrophobic surface: 328.207  Hydrophilic surface: 128.041
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.