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MolName : (1S,3S,6S,7S,9S)-N-[4-(morpholine-4-carbonyl)phenyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide

MolecularFormula : C20H22N2O5

Smiles : O=C([C@@H]([C@@H](C[C@@H]12)C[C@@H]2O2)[C@H]1C2=O)Nc(cc1)ccc1C(N1CCOCC1)=O

InChI : InChI=1S/C20H22N2O5/c23-18(16-12-9-14-15(10-12)27-20(25)17(14)16)21-13-3-1-11(2-4-13)19(24)22-5-7-26-8-6-22/h1-4,12,14-17H,5-10H2,(H,21,23)/t12-,14-,15+,16-,17-/m0/s1

InChIK : TVXRLXNAVRKECX-RKOFLFEYSA-N

TotalMolweight : 370.404

Molweight : 370.404

MonoisotopicMass : 370.152873

CLogP : 0.8557

CLogS : -2.847

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 259.33

Relative PSA : 0.28585

PolarSurfaceArea : 84.94

Druglikeness : 4.5957

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : low

Nasty Functions :

Shape Index : 0.55556

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 7

Electronegative Atoms : 7

StereoCenters : 5

Rotatable Bond : 3

Rings Closures : 5

Small Rings : 7

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 13

Symmetricatoms : 4

Amides : 2

StereoCon : this enantiomer