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ACROSORGANICS-ZINC00388040

 MMsINC code: MMs00006803
Type: Neutral
Formula: C10H15NO
SMILES:   Oc1cc(N(CC)CC)ccc1
InChI:   InChI=1/C10H15NO/c1-3-11(4-2)9-6-5-7-10(12)8-9/h5-8,12H,3-4H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.6267 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 165.236 g/mol  logS: -1.60476  SlogP: 2.2384  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142196  Sterimol/B1: 2.24361  Sterimol/B2: 2.27926  Sterimol/B3: 3.82969
  Sterimol/B4: 6.57323  Sterimol/L: 10.0985 
 
 Surface and Volume Properties
  Accessible surface: 375.415  Positive charged surface: 255.752  Negative charged surface: 119.662  Volume: 183
  Hydrophobic surface: 267.067  Hydrophilic surface: 108.348
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.