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ENAMINE-ZINC06085210

 MMsINC code: MMs01654508
Type: Neutral
Formula: C13H25N3O2
SMILES:   O=C(NC(=O)N)C(NC1CCCCC1C)C(C)C
InChI:   InChI=1/C13H25N3O2/c1-8(2)11(12(17)16-13(14)18)15-10-7-5-4-6-9(10)3/h8-11,15H,4-7H2,1-3H3,(H3,14,16,17,18)/t9-,10+,11+/m1/s1

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Potential Energy
Epot(MMFF94)=37.622 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.362 g/mol  logS: -2.26823  SlogP: 1.3742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.162448  Sterimol/B1: 2.03683  Sterimol/B2: 4.72332  Sterimol/B3: 5.01582
  Sterimol/B4: 5.46212  Sterimol/L: 12.999 
 
 Surface and Volume Properties
  Accessible surface: 492.906  Positive charged surface: 349.732  Negative charged surface: 143.173  Volume: 262.125
  Hydrophobic surface: 293.523  Hydrophilic surface: 199.383
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs01654509
ENAMINE-ZINC06085210