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CHEMDIV-ZINC04778475

 MMsINC code: MMs00953168
Type: Neutral
Formula: C23H43N3O2
SMILES:   O=C(NC(C(C)C)C(=O)NCCCN1CCCCC1CC)C1CCC(CC1)C
InChI:   InChI=1/C23H43N3O2/c1-5-20-9-6-7-15-26(20)16-8-14-24-23(28)21(17(2)3)25-22(27)19-12-10-18(4)11-13-19/h17-21H,5-16H2,1-4H3,(H,24,28)(H,25,27)/t18-,19-,20-,21-/m1/s1

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Potential Energy
Epot(MMFF94)=59.793 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.616 g/mol  logS: -4.41896  SlogP: 3.7243  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0308383  Sterimol/B1: 2.48307  Sterimol/B2: 2.56652  Sterimol/B3: 4.56116
  Sterimol/B4: 9.20614  Sterimol/L: 21.4097 
 
 Surface and Volume Properties
  Accessible surface: 744.856  Positive charged surface: 579.638  Negative charged surface: 165.218  Volume: 428.375
  Hydrophobic surface: 613.285  Hydrophilic surface: 131.571
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs00953169
CHEMDIV-ZINC04778475