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NCID-ZINC01733951

 MMsINC code: MMs02356325
Type: Neutral
Formula: C10H23NO3
SMILES:   O(C(C(O)CN(CC)CC)COC)C
InChI:   InChI=1/C10H23NO3/c1-5-11(6-2)7-9(12)10(14-4)8-13-3/h9-10,12H,5-8H2,1-4H3/t9-,10-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.0635 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.298 g/mol  logS: -0.22559  SlogP: 0.3505  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127632  Sterimol/B1: 2.53156  Sterimol/B2: 3.78104  Sterimol/B3: 4.78316
  Sterimol/B4: 4.87101  Sterimol/L: 14.2886 
 
 Surface and Volume Properties
  Accessible surface: 457.583  Positive charged surface: 388.56  Negative charged surface: 69.0225  Volume: 224.125
  Hydrophobic surface: 367.782  Hydrophilic surface: 89.801
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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


MMs02356326
NCID-ZINC01733951