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ACROSORGANICS-ZINC00162644

 MMsINC code: MMs00006036
Type: Neutral
Formula: C7H15NO2
SMILES:   O(C(=O)C(N)C(C)C)CC
InChI:   InChI=1/C7H15NO2/c1-4-10-7(9)6(8)5(2)3/h5-6H,4,8H2,1-3H3/t6-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.4377 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 145.202 g/mol  logS: -0.74803  SlogP: 0.5328  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15893  Sterimol/B1: 2.58406  Sterimol/B2: 3.00242  Sterimol/B3: 3.70159
  Sterimol/B4: 4.52574  Sterimol/L: 11.3154 
 
 Surface and Volume Properties
  Accessible surface: 359.107  Positive charged surface: 263.196  Negative charged surface: 95.9105  Volume: 156
  Hydrophobic surface: 221.978  Hydrophilic surface: 137.129
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: no related molecules available.