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C16H15N3O5 | Cheminformatics
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(1R,9S,11S,13S,14S)-14-hydroxy-4-phenyl-12-oxa-2,4,6-triazatetracyclo[7.5.0.02,6.011,13]tetradecane-3,5,10-trione

Molecular Formula : C16H15N3O5 | Mutagenic : high | Tumorigenic : none | Reproductive Effective : none |
(1R,9S,11S,13S,14S)-14-hydroxy-4-phenyl-12-oxa-2,4,6-triazatetracyclo[7.5.0.02,6.011,13]tetradecane-3,5,10-trione is a drug-like molecule.

MolName : (1R,9S,11S,13S,14S)-14-hydroxy-4-phenyl-12-oxa-2,4,6-triazatetracyclo[7.5.0.02,6.011,13]tetradecane-3,5,10-trione

MolecularFormula : C16H15N3O5

Smiles : O[C@H]([C@@H]1O[C@@H]1C([C@H]1CC2)=O)[C@@H]1N(C(N1c3ccccc3)=O)N2C1=O

InChI : InChI=1S/C16H15N3O5/c20-11-9-6-7-17-15(22)18(8-4-2-1-3-5-8)16(23)19(17)10(9)12(21)14-13(11)24-14/h1-5,9-10,12-14,21H,6-7H2/t9-,10+,12+,13+,14-/m0/s1

InChIK : PYUSHHHGMCBLKG-HNTFPEDGSA-N

TotalMolweight : 329.311

Molweight : 329.311

MonoisotopicMass : 329.101172

CLogP : -1.0745

CLogS : -2.948

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 217.43

Relative PSA : 0.37033

PolarSurfaceArea : 93.69

Druglikeness : 4.8631

Mutagenic : high

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : oxiran/aziridine

Shape Index : 0.45833

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 8

Electronegative Atoms : 8

StereoCenters : 5

Rotatable Bond : 1

Rings Closures : 5

Small Rings : 6

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 9

Symmetricatoms : 2

Amides : 1

StereoCon : this enantiomer

Click to Load Molecule:
1 - (1R,9S,11S,13S,14S)-14-hydroxy-4-phenyl-12-oxa-2,4,6-triazatetracyclo[7.5.0.02,6.011,13]tetradecane-3,5,10-trione
2 - (1R,9S,11S,13S,14S)-14-hydroxy-4-phenyl-12-oxa-2,4,6-triazatetracyclo[7.5.0.02,6.011,13]tetradecane-3,5,10-trione
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