Molecular Properties | |
SMILES: | Cc1cc(O)nc(SCC(=O)Nc2ccccc2Br)n1 |
MW: | 352.98 |
Fraction sp3: | 0.15 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 75.11 |
cLogP: | 2.98 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9802618708 |
MolPort: | MolPort-001-936-709 |
Filter9_metal
aryl bromide
MAR-TRE-f5c2d31c-75
0.577
MAR-TRE-f5c2d31c-44
0.565
MAR-TRE-f5c2d31c-84
0.507
MAR-TRE-f5c2d31c-100
0.440
MAR-TRE-f5c2d31c-14
0.413
MAR-TRE-f5c2d31c-69
0.410
MAR-TRE-f5c2d31c-67
0.392
MAR-TRE-f5c2d31c-94
0.372
MAR-TRE-4f781e27-19
0.372
TAT-ENA-80bfd3e5-42
0.365
MAT-POS-fa06b69f-8
0.365
MAR-TRE-fd17a9b8-78
0.359
MAR-TRE-f5c2d31c-15
0.341
MAR-TRE-1c920f6f-31
0.333
MAR-TRE-a3327163-18
0.323
MAR-TRE-a3327163-46
0.318
LON-WEI-120e5cf5-16
0.305
AAR-UNI-c25c2f1e-55
0.304
MAR-TRE-f5c2d31c-10
0.296
MAR-TRE-1c920f6f-3
0.291
MAR-TRE-f5c2d31c-97
0.291
MAR-TRE-f5c2d31c-17
0.289
MAR-TRE-f5c2d31c-65
0.287
MAR-TRE-0fda4e82-60
0.287
MAR-TRE-f5c2d31c-32
0.287
MAR-TRE-f5c2d31c-76
0.284
LON-WEI-d1c9908a-12
0.282
MAR-TRE-1c920f6f-74
0.281
MAR-TRE-a3327163-43
0.276
MAR-TRE-7f7bb9f0-42
0.273
MAK-UNK-5d2caa6f-21
0.270
MAR-TRE-a3327163-20
0.270
MAR-TRE-7f7bb9f0-23
0.267
LON-WEI-b8d98729-13
0.267
MAR-TRE-6c5ef77a-96
0.266
MAR-TRE-1c920f6f-49
0.266
MAR-TRE-a3327163-92
0.263
MAR-TRE-9c797165-27
0.263
MAR-TRE-7f7bb9f0-48
0.262
MAR-TRE-6c5ef77a-14
0.261
LON-WEI-b8d98729-19
0.260
MAR-TRE-9c797165-49
0.260
MAR-TRE-0fda4e82-89
0.258
MAR-TRE-0fda4e82-70
0.257
UNK-UNK-2ede4078-60
0.257
MIC-UNK-51049f1a-6
0.256
MAR-TRE-0fda4e82-90
0.255
MAR-TRE-1c920f6f-95
0.255
LON-WEI-b8d98729-41
0.255
MAR-TRE-67513f76-71
0.255
KEI-TRE-d5e2018a-51
0.253
MAR-TRE-0fda4e82-67
0.253
ALV-UNI-7ff1a6f9-45
0.250
MAR-TRE-9c797165-76
0.250
MAR-TRE-6c5ef77a-45
0.250
MAR-TRE-d0525fbf-93
0.250
MAR-TRE-f5c2d31c-93
0.247
MAR-TRE-4f781e27-57
0.247
MAR-TRE-1c920f6f-20
0.247
BEN-DND-93268d01-13
0.244
KEI-TRE-d5e2018a-66
0.243
PET-UNK-c9c1e0d8-1
0.242
JAN-GHE-83b26c96-12
0.241
MAR-TRE-f5c2d31c-72
0.241
MAR-TRE-a3327163-34
0.240
MAR-TRE-a3327163-88
0.237
MAR-TRE-1c920f6f-100
0.237
MAR-TRE-14ce9fd6-43
0.237
MAR-TRE-f6f5f473-27
0.235
MAR-TRE-6c5ef77a-55
0.235
ALP-POS-90c18d1d-1
0.235
MAR-TRE-a3327163-82
0.234
MAR-TRE-14ce9fd6-27
0.234
MAR-TRE-f5c2d31c-3
0.234
LOR-NOR-30067bb9-12
0.233
ALP-POS-df536be7-5
0.232
MAR-TRE-a3327163-30
0.232
MAR-TRE-a3327163-29
0.231
BEN-DND-6de5dfa0-11
0.231
MAR-TRE-1c920f6f-4
0.231
VLA-UCB-05e51b3f-1
0.231
NAU-LAT-a5c7d7cb-1
0.231
NIR-THE-d08c3b48-1
0.231
ALP-POS-6747fa38-1
0.231
MAR-TRE-0fda4e82-54
0.230
PET-SGC-83d43576-1
0.229
BAR-COM-4e090d3a-3
0.229
BAR-COM-4e090d3a-16
0.229
RAL-THA-2d450e86-13
0.228
MAR-TRE-3e4e6814-55
0.228
MIC-UNK-51049f1a-4
0.228
RAL-THA-2d450e86-3
0.227
MAR-TRE-0fda4e82-29
0.227
MAR-TRE-0fda4e82-31
0.227
MAR-TRE-0fda4e82-79
0.227
MAR-TRE-6a44bbf2-98
0.226
MAR-TRE-f5c2d31c-30
0.226
MAR-TRE-a3327163-80
0.226
MAR-TRE-6c5ef77a-26
0.226
MAR-TRE-6c5ef77a-17
0.225