Molecular Properties | |
SMILES: | C[S+]([O-])Cc1ccc2c(NC(=O)[C@@H]3CCOc4ccc(Cl)cc43)cncc2c1 |
MW: | 414.08 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 74.28 |
cLogP: | 4.27 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-04-27 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
charged oxygen or sulfur atoms
Cations
Filter22_sulfonium_salt
quaternary
Tri_Pentavalent_S
MAT-POS-b3e365b9-1
ALP-POS-82da25a3-1
0.782
MAK-UNK-8be7dca9-5
0.773
MAK-UNK-8be7dca9-2
0.756
ALF-EVA-5b152d2f-8
0.756
JAG-UCB-571deb56-2
0.750
JAG-UCB-571deb56-1
0.737
JAG-UCB-571deb56-4
0.734
JAG-UCB-571deb56-6
0.711
ERI-UCB-8d4e5055-3
0.696
MAT-POS-7ddaf7de-2
0.696
JAG-UCB-571deb56-3
0.683
MAT-POS-7ddaf7de-1
0.683
PET-UNK-03fd2068-1
0.681
MAK-UNK-8be7dca9-9
0.681
MAK-UNK-8be7dca9-1
0.680
ERI-UCB-8d4e5055-1
0.680
ALF-EVA-5b152d2f-5
0.670
JAG-UCB-571deb56-7
0.667
MAT-POS-1ecf5680-1
0.667
TET-ENA-382364b7-1
0.663
MAT-POS-7ddaf7de-3
0.660
ERI-UCB-8d4e5055-6
0.660
PET-UNK-6314f867-1
0.660
MAT-POS-f7918075-1
0.648
VLA-UCB-1dbca3b4-15
0.648
BEN-DND-4f474d93-1
0.648
ALP-POS-ce760d3f-2
0.648
MAT-POS-b3e365b9-1
0.648
BEN-DND-4f474d93-3
0.648
MAT-POS-b3e365b9-2
0.648
MAT-POS-1ecf5680-2
0.633
ALP-POS-82da25a3-2
0.632
RUB-POS-1325a9ea-10
0.625
WIL-UCB-7ba4ac3a-1
0.621
PET-UNK-ee8352fa-5
0.619
MAK-UNK-8be7dca9-8
0.619
ERI-UCB-8d4e5055-4
0.615
BEN-DND-c852c98b-5
0.615
PET-UNK-f4e47ebd-4
0.612
PET-UNK-b38839dc-5
0.612
ALF-EVA-5b152d2f-2
0.611
EDG-MED-5d232de5-2
0.606
BEN-DND-4f474d93-2
0.606
ALP-POS-ce760d3f-7
0.606
ALP-POS-696356e4-1
0.606
ALP-POS-ce760d3f-3
0.606
EDG-MED-5d232de5-1
0.606
BEN-DND-c852c98b-4
0.606
EDJ-MED-ba7e64f2-1
0.606
PET-UNK-b38839dc-4
0.606
PET-UNK-ee8352fa-6
0.602
BEN-DND-c852c98b-3
0.598
PET-UNK-ee8352fa-4
0.598
MAT-POS-f9802937-7
0.598
PET-UNK-b1ef24dc-7
0.596
ALF-EVA-ced740bd-1
0.592
RAL-THA-b9d6aec1-2
0.590
RAL-THA-b9d6aec1-1
0.590
MAK-UNK-8be7dca9-7
0.588
RAL-THA-b9d6aec1-3
0.586
ALF-EVA-5b152d2f-7
0.586
ERI-UCB-b3e6b0c2-10
0.583
MAT-POS-8293a91a-3
0.582
PET-UNK-f4e47ebd-3
0.580
PET-UNK-b1ef24dc-8
0.579
MIC-UNK-7574fcc6-2
0.579
BEN-DND-c852c98b-7
0.576
BEN-DND-c852c98b-1
0.576
PET-UNK-b38839dc-3
0.573
MAT-POS-419aafdb-1
0.573
MAT-POS-d8472c4f-6
0.571
MAT-POS-14f31916-1
0.571
MAT-POS-14f31916-5
0.567
PET-UNK-7f7e354d-1
0.567
PET-UNK-e274cad4-7
0.567
MAT-POS-8040981b-1
0.566
BEN-DND-c852c98b-6
0.564
MAT-POS-ee5e8e94-1
0.564
ADA-UCB-dc2b944c-8
0.561
MAT-POS-a2421bb6-3
0.560
BEN-DND-c852c98b-2
0.559
ERI-UCB-8d4e5055-2
0.556
BEN-DND-a7517465-1
0.556
MAT-POS-8695a11f-2
0.556
NAU-LAT-b7d8c353-8
0.554
MAK-UNK-8be7dca9-6
0.554
MAT-POS-ee5e8e94-2
0.554
MAT-POS-acfe5bae-1
0.554
MAT-POS-afb6844f-1
0.553
MAT-POS-7ddaf7de-4
0.553
BEN-DND-a7517465-5
0.551
BEN-DND-a7517465-2
0.551
MIC-UNK-b904ca85-2
0.551
BEN-DND-a7517465-3
0.551
MAT-POS-14f31916-2
0.550
MAT-POS-acfe5bae-5
0.550
MAT-POS-14f31916-3
0.549
TET-ENA-1a76f195-1
0.549
MAT-POS-419aafdb-2
0.548
MAT-POS-afb6844f-3
0.546