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C21H23N3O2 | Cheminformatics
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(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

Molecular Formula : C21H23N3O2 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
(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 is a drug-like molecule.

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

Click to Load Molecule:
1 - (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
2 - (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
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Request More Details | (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


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