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NCID-ZINC01679625

 MMsINC code: MMs02314205
Type: Neutral
Formula: C15H25NO
SMILES:   Oc1ccc(cc1CNC(C)(C)C)C(C)(C)C
InChI:   InChI=1/C15H25NO/c1-14(2,3)12-7-8-13(17)11(9-12)10-16-15(4,5)6/h7-9,16-17H,10H2,1-6H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.9589 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.371 g/mol  logS: -3.76464  SlogP: 3.8442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0986023  Sterimol/B1: 3.21419  Sterimol/B2: 4.00754  Sterimol/B3: 4.13115
  Sterimol/B4: 4.88764  Sterimol/L: 13.9448 
 
 Surface and Volume Properties
  Accessible surface: 501.466  Positive charged surface: 344.081  Negative charged surface: 157.385  Volume: 266
  Hydrophobic surface: 341.911  Hydrophilic surface: 159.555
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02314206
NCID-ZINC01679625