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NCID-ZINC05963979

 MMsINC code: MMs02514025
Type: Neutral
Formula: C10H19NO
SMILES:   OC1C(C2CC1(CC2)CN)(C)C
InChI:   InChI=1/C10H19NO/c1-9(2)7-3-4-10(5-7,6-11)8(9)12/h7-8,12H,3-6,11H2,1-2H3/t7-,8+,10+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.1244 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.268 g/mol  logS: -0.92833  SlogP: 1.1323  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.285925  Sterimol/B1: 2.75056  Sterimol/B2: 2.78872  Sterimol/B3: 4.02148
  Sterimol/B4: 5.40209  Sterimol/L: 10.1127 
 
 Surface and Volume Properties
  Accessible surface: 358.559  Positive charged surface: 281.459  Negative charged surface: 77.0994  Volume: 185
  Hydrophobic surface: 241.496  Hydrophilic surface: 117.063
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs02514026
NCID-ZINC05963979