MolName : (2S)-7-oxa-5-thia-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),12,14,16-tetraen-3-amine |
MolecularFormula : C14H17N3OS |
Smiles : NC1[C@@H](c2c(CC3)c(cccc4)c4[nH]2)N3OCSC1 |
InChI : InChI=1S/C14H17N3OS/c15-11-7-19-8-18-17-6-5-10-9-3-1-2-4-12(9)16-13(10)14(11)17/h1-4,11,14,16H,5-8,15H2/t11?,14-/m1/s1 |
InChIK : SFAMFXNCPDEYGA-SBXXRYSUSA-N |
TotalMolweight : 275.375 |
Molweight : 275.375 |
MonoisotopicMass : 275.109232 |
CLogP : 0.9207 |
CLogS : -3.211 |
H Acceptors : 4 |
H Donors : 2 |
TotalSurfaceArea : 196.78 |
Relative PSA : 0.30643 |
PolarSurfaceArea : 79.58 |
Druglikeness : 2.515 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : low |
Irritant : none |
Nasty Functions : |
Shape Index : 0.47368 |
Fragments : 1 |
Non HAtoms : 19 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
StereoCenters : 2 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 2 |
Aromatic Atoms : 9 |
Sp3Atoms : 10 |
Amines : 1 |
AlkylAmines : 1 |
Aromatic Nitrogens : 1 |
BasicNitrogens : 1 |
StereoCon : unknown chirality |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |