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ASINEX-ZINC04894952

 MMsINC code: MMs00397487
Type: Neutral
Formula: C14H25N3O2
SMILES:   O=C1N(CCC1)CCCNC(=O)NC1CCCCC1
InChI:   InChI=1/C14H25N3O2/c18-13-8-4-10-17(13)11-5-9-15-14(19)16-12-6-2-1-3-7-12/h12H,1-11H2,(H2,15,16,19)

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Potential Energy
Epot(MMFF94)=-17.7111 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.373 g/mol  logS: -1.57635  SlogP: 1.6308  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0387681  Sterimol/B1: 3.18903  Sterimol/B2: 3.62461  Sterimol/B3: 3.88124
  Sterimol/B4: 3.91334  Sterimol/L: 18.1164 
 
 Surface and Volume Properties
  Accessible surface: 551.808  Positive charged surface: 436.356  Negative charged surface: 115.453  Volume: 275.75
  Hydrophobic surface: 447.459  Hydrophilic surface: 104.349
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.