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PUBCHEM-ZINC05996383

 MMsINC code: MMs03480381
Type: Neutral
Formula: C10H15NO
SMILES:   O(C)c1ccc(cc1)CCNC
InChI:   InChI=1/C10H15NO/c1-11-8-7-9-3-5-10(12-2)6-4-9/h3-6,11H,7-8H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.8103 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 165.236 g/mol  logS: -1.23723  SlogP: 1.45707  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0663413  Sterimol/B1: 2.31042  Sterimol/B2: 2.498  Sterimol/B3: 4.14225
  Sterimol/B4: 4.64798  Sterimol/L: 14.3226 
 
 Surface and Volume Properties
  Accessible surface: 400.478  Positive charged surface: 317.108  Negative charged surface: 83.3701  Volume: 182.75
  Hydrophobic surface: 364.141  Hydrophilic surface: 36.337
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs03480382
PUBCHEM-ZINC05996383