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IBS-ZINC02435866

 MMsINC code: MMs01863470
Type: Neutral
Formula: C12H24N2O3
SMILES:   O(C(=O)C(NC(=O)NCC(C)C)C(CC)C)C
InChI:   InChI=1/C12H24N2O3/c1-6-9(4)10(11(15)17-5)14-12(16)13-7-8(2)3/h8-10H,6-7H2,1-5H3,(H2,13,14,16)/t9-,10+/m1/s1

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Potential Energy
Epot(MMFF94)=21.342 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.335 g/mol  logS: -1.98922  SlogP: 1.5293  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.126157  Sterimol/B1: 2.27054  Sterimol/B2: 2.43918  Sterimol/B3: 5.21735
  Sterimol/B4: 7.35184  Sterimol/L: 15.1931 
 
 Surface and Volume Properties
  Accessible surface: 505.347  Positive charged surface: 388.381  Negative charged surface: 116.966  Volume: 257
  Hydrophobic surface: 361.87  Hydrophilic surface: 143.477
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.