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ACROSORGANICS-ZINC01566617

 MMsINC code: MMs00009277
Type: Neutral
Formula: C10H21NO
SMILES:   O=C(N(C(C)C)C(C)C)C(C)C
InChI:   InChI=1/C10H21NO/c1-7(2)10(12)11(8(3)4)9(5)6/h7-9H,1-6H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.9404 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.284 g/mol  logS: -1.37686  SlogP: 2.2878  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.308643  Sterimol/B1: 2.12945  Sterimol/B2: 3.93198  Sterimol/B3: 4.49412
  Sterimol/B4: 5.2184  Sterimol/L: 10.5872 
 
 Surface and Volume Properties
  Accessible surface: 384.52  Positive charged surface: 259.591  Negative charged surface: 124.93  Volume: 196
  Hydrophobic surface: 257.234  Hydrophilic surface: 127.286
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.