Molecular Properties | |
SMILES: | O=C(CSc1ccc(Br)c2cccc(Cl)c12)Nc1cccc2cnccc12 |
MW: | 455.97 |
Fraction sp3: | 0.05 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 41.99 |
cLogP: | 6.53 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-26 |
Filter9_metal
aryl bromide
UNK-UNK-2ede4078-22
0.406
UNK-UNK-2ede4078-13
0.404
UNK-UNK-2ede4078-30
0.398
UNK-UNK-2ede4078-51
0.394
UNK-UNK-2ede4078-23
0.378
UNK-UNK-2ede4078-61
0.369
UNK-UNK-2ede4078-35
0.361
UNK-UNK-2ede4078-32
0.354
ALF-EVA-a24cc7ce-1
0.343
UNK-UNK-2ede4078-50
0.333
UNK-UNK-2ede4078-56
0.333
ALF-EVA-a24cc7ce-5
0.324
LON-WEI-af038623-9
0.320
MAT-POS-bb423b95-1
0.304
RAL-THA-2d450e86-36
0.303
AAR-UNI-c25c2f1e-55
0.296
UNK-UNK-2ede4078-38
0.296
VLA-UNK-82501c2c-1
0.294
RAL-THA-2d450e86-34
0.291
MAT-POS-afd4d4fd-3
0.291
RAL-THA-2d450e86-19
0.286
JUL-TUD-06b2044f-84
0.286
PET-UNK-c9c1e0d8-1
0.279
JUL-TUD-06b2044f-45
0.278
MAR-TRE-0fda4e82-70
0.278
RAL-THA-2d450e86-21
0.278
PET-UNK-b78139fa-18
0.276
MIC-UNK-54748b58-2
0.276
PET-UNK-4b4f2bb7-9
0.275
MAR-TRE-f5c2d31c-67
0.275
MAT-POS-afd4d4fd-1
0.274
RAL-THA-2d450e86-20
0.274
UNK-UNK-2ede4078-59
0.271
MAT-POS-fce787c2-11
0.271
ALP-POS-f13221e1-2
0.269
MAK-UNK-c749d764-32
0.269
JUL-TUD-06b2044f-47
0.268
RYA-UNI-14580791-1
0.267
EDJ-MED-6ab52e52-1
0.267
MIC-UNK-51049f1a-6
0.267
MIC-UNK-50cce87d-2
0.267
MAT-POS-afd4d4fd-2
0.267
RAL-THA-2d450e86-22
0.266
MIC-UNK-54748b58-3
0.264
IVS-FNM-f9a14d04-1
0.263
JUL-TUD-06b2044f-46
0.263
ALP-POS-f13221e1-3
0.262
PET-UNK-dd44aeb6-2
0.262
RAL-THA-2d450e86-27
0.262
RAL-THA-2d450e86-24
0.262
MAT-POS-fce787c2-1
0.261
MAR-TRE-f5c2d31c-14
0.260
MAT-POS-666635d5-1
0.260
EDJ-MED-c3ea9889-4
0.260
RAL-THA-2d450e86-8
0.259
PET-UNK-3c72d439-1
0.259
DAR-DIA-0cde14eb-47
0.259
MIC-UNK-54748b58-4
0.258
MAT-POS-23a8a11a-1
0.257
ADA-UCB-6c2cb422-1
0.257
MAR-TRE-f5c2d31c-49
0.257
MAR-TRE-0fda4e82-89
0.257
NAU-LAT-2fed8305-3
0.257
BEN-DND-61647d40-15
0.255
VLA-UNK-b9c208fe-2
0.255
MIC-UNK-16ccb665-2
0.254
BEN-DND-34fc7f90-4
0.254
PET-UNK-407a74a5-1
0.254
PET-UNK-c0891748-3
0.254
PET-UNK-c0891748-9
0.254
MIC-UNK-54748b58-1
0.254
MIK-ENA-e76e31f3-1
0.254
MAT-POS-e119ab4f-5
0.254
MIK-ENA-d22671f7-1
0.254
LUO-POS-868e8996-1
0.254
MIK-ENA-f5fe7855-1
0.254
LUO-POS-868e8996-2
0.254
PET-UNK-5ad1c31a-3
0.254
PET-UNK-5ad1c31a-4
0.254
PET-UNK-5ad1c31a-9
0.254
PET-UNK-5ad1c31a-10
0.254
RAL-THA-2d450e86-38
0.252
RAL-THA-2d450e86-2
0.252
MAT-POS-de59a476-1
0.252
MAT-POS-fce787c2-4
0.252
RAL-THA-2d450e86-23
0.252
MIC-UNK-df9dcda8-3
0.252
NIM-UNI-7ba87d62-3
0.252
PET-UNK-b78139fa-9
0.252
DAR-DIA-0587064e-7
0.252
MAK-UNK-ffc90da7-7
0.252
PET-UNK-f4e47ebd-21
0.252
PET-UNK-1abb40f2-2
0.252
PET-UNK-1abb40f2-4
0.252
MAT-POS-c88128cb-4
0.252
MAT-POS-fce787c2-2
0.250
MIC-UNK-16ccb665-3
0.250
SAM-UNK-2684b532-13
0.250
MAT-POS-f7918075-5
0.250
ALP-POS-95b75b4d-8
0.250