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NCID-ZINC04786435

 MMsINC code: MMs02406082
Type: Neutral
Formula: C10H22N2O2
SMILES:   OCCN1CC(N(CC1C)CCO)C
InChI:   InChI=1/C10H22N2O2/c1-9-7-12(4-6-14)10(2)8-11(9)3-5-13/h9-10,13-14H,3-8H2,1-2H3/t9-,10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.9556 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.298 g/mol  logS: 0.2155  SlogP: -0.6344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14855  Sterimol/B1: 2.07738  Sterimol/B2: 2.28118  Sterimol/B3: 4.54438
  Sterimol/B4: 6.61146  Sterimol/L: 12.4507 
 
 Surface and Volume Properties
  Accessible surface: 421.372  Positive charged surface: 356.341  Negative charged surface: 65.0305  Volume: 212.75
  Hydrophobic surface: 290.843  Hydrophilic surface: 130.529
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs02406083
NCID-ZINC04786435