MolName : (4aS,5aR,8aS,13aR,15aR,15bS)-10-amino-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one |
MolecularFormula : C21H23N3O2 |
Smiles : Nc(cc1)cc([C@]2(CC3)[C@H]4[C@H]5[C@@H](C6)OCC=C7[C@H]5C[C@H]2N3C7)c1N4C6=O |
InChI : InChI=1S/C21H23N3O2/c22-12-1-2-15-14(7-12)21-4-5-23-10-11-3-6-26-16-9-18(25)24(15)20(21)19(16)13(11)8-17(21)23/h1-3,7,13,16-17,19-20H,4-6,8-10,22H2/t13-,16-,17+,19-,20+,21-/m0/s1 |
InChIK : NRGHCWQGTHPFTE-QWNZLTPESA-N |
TotalMolweight : 349.433 |
Molweight : 349.433 |
MonoisotopicMass : 349.179027 |
CLogP : 0.9162 |
CLogS : -3.63 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 229.31 |
Relative PSA : 0.19803 |
PolarSurfaceArea : 58.8 |
Druglikeness : 4.578 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : high |
Nasty Functions : |
Shape Index : 0.38462 |
Fragments : 1 |
Non HAtoms : 26 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
StereoCenters : 6 |
Rings Closures : 7 |
Small Rings : 7 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 14 |
Amides : 1 |
Amines : 2 |
AlkylAmines : 1 |
Aromatic Amines : 1 |
BasicNitrogens : 1 |
StereoCon : this enantiomer |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |