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ASINEX-ZINC01381021

 MMsINC code: MMs00252895
Type: Neutral
Formula: C14H19NO5
SMILES:   O1CCCC1CNC(=O)C(OC(=O)c1occc1)CC
InChI:   InChI=1/C14H19NO5/c1-2-11(20-14(17)12-6-4-8-19-12)13(16)15-9-10-5-3-7-18-10/h4,6,8,10-11H,2-3,5,7,9H2,1H3,(H,15,16)/t10-,11+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.4133 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.308 g/mol  logS: -2.91475  SlogP: 1.5102  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0580587  Sterimol/B1: 2.42424  Sterimol/B2: 3.07804  Sterimol/B3: 4.3085
  Sterimol/B4: 6.9822  Sterimol/L: 17.5475 
 
 Surface and Volume Properties
  Accessible surface: 543.922  Positive charged surface: 360.175  Negative charged surface: 183.747  Volume: 266.125
  Hydrophobic surface: 434.538  Hydrophilic surface: 109.384
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: no related molecules available.