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ACROSORGANICS-ZINC02572368

 MMsINC code: MMs00014695
Type: Neutral
Formula: C11H15NO2
SMILES:   OC1CN(CC1O)Cc1ccccc1
InChI:   InChI=1/C11H15NO2/c13-10-7-12(8-11(10)14)6-9-4-2-1-3-5-9/h1-5,10-11,13-14H,6-8H2/t10-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=61.8546 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.246 g/mol  logS: -1.00009  SlogP: 0.4904  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112903  Sterimol/B1: 2.65052  Sterimol/B2: 3.97932  Sterimol/B3: 4.03802
  Sterimol/B4: 4.12008  Sterimol/L: 12.0151 
 
 Surface and Volume Properties
  Accessible surface: 409.089  Positive charged surface: 282.134  Negative charged surface: 126.955  Volume: 195.625
  Hydrophobic surface: 299.591  Hydrophilic surface: 109.498
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00014696
ACROSORGANICS-ZINC02572368