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ENAMINE-ZINC03284127

 MMsINC code: MMs01349618
Type: Neutral
Formula: C12H23N3O2
SMILES:   O=C(NC1CCCCC1)C(NC(=O)N)C(C)C
InChI:   InChI=1/C12H23N3O2/c1-8(2)10(15-12(13)17)11(16)14-9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,14,16)(H3,13,15,17)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=4.84209 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.335 g/mol  logS: -2.08478  SlogP: 1.1282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121872  Sterimol/B1: 2.51347  Sterimol/B2: 2.73524  Sterimol/B3: 5.03148
  Sterimol/B4: 5.37806  Sterimol/L: 14.4229 
 
 Surface and Volume Properties
  Accessible surface: 469.603  Positive charged surface: 352.856  Negative charged surface: 116.747  Volume: 246.375
  Hydrophobic surface: 295.14  Hydrophilic surface: 174.463
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.