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CHEMDIV-ZINC03549763

 MMsINC code: MMs00910693
Type: Neutral
Formula: C18H34N2O2
SMILES:   O=C(NC(C(C)C)C(=O)NCCC(C)C)C1CCC(CC1)C
InChI:   InChI=1/C18H34N2O2/c1-12(2)10-11-19-18(22)16(13(3)4)20-17(21)15-8-6-14(5)7-9-15/h12-16H,6-11H2,1-5H3,(H,19,22)(H,20,21)/t14-,15-,16-/m0/s1

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Potential Energy
Epot(MMFF94)=44.3598 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.482 g/mol  logS: -4.59559  SlogP: 3.1158  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0562021  Sterimol/B1: 2.91043  Sterimol/B2: 3.16166  Sterimol/B3: 4.55507
  Sterimol/B4: 6.70241  Sterimol/L: 19.6852 
 
 Surface and Volume Properties
  Accessible surface: 618.142  Positive charged surface: 465.771  Negative charged surface: 152.371  Volume: 341.125
  Hydrophobic surface: 458.741  Hydrophilic surface: 159.401
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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: no related molecules available.