Molecular Properties | |
SMILES: | C=CC(=O)N(CC(=O)Nc1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 |
MW: | 378.35 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 58.64 |
cLogP: | 3.8717 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
AAR-POS-0daf6b7e-21
RAL-MED-9a5eb9cb-18
0.532
RAL-MED-9a5eb9cb-16
0.519
RAL-MED-9a5eb9cb-2
0.494
RAL-MED-9a5eb9cb-3
0.477
RAL-MED-9a5eb9cb-17
0.477
LON-WEI-b8d98729-27
0.451
RAL-MED-9a5eb9cb-4
0.381
RAL-MED-9a5eb9cb-1
0.379
RAL-MED-9a5eb9cb-5
0.376
LON-WEI-d1c9908a-7
0.354
NIM-NMI-8bb27a2b-25
0.354
RIT-AID-af4ac3d4-1
0.347
MAR-TRE-6c5ef77a-25
0.342
MAR-TRE-a3327163-40
0.342
LON-WEI-b8d98729-37
0.340
RAL-MED-9a5eb9cb-10
0.337
RAL-MED-9a5eb9cb-14
0.330
RAL-MED-9a5eb9cb-6
0.330
NIM-NMI-8bb27a2b-19
0.323
LON-WEI-b8d98729-12
0.320
BRU-LEF-973da26b-1
0.320
BRU-LEF-e1854a6f-1
0.316
WIL-UNI-a125ac6f-1
0.316
MAR-TRE-6c5ef77a-67
0.315
RAL-MED-9a5eb9cb-9
0.312
MAR-TRE-a3327163-82
0.311
LON-WEI-b8d98729-47
0.310
NIM-NMI-8bb27a2b-24
0.309
LON-WEI-8f408cad-10
0.308
RAL-MED-9a5eb9cb-8
0.306
MAR-TRE-7f7bb9f0-90
0.306
ROB-UNI-83ecb295-1
0.306
NIM-NMI-8bb27a2b-26
0.305
BRU-LEF-8bac3ce8-1
0.303
MAR-TRE-1c920f6f-97
0.302
JAG-UCB-1d922829-6
0.301
LON-WEI-d1c9908a-5
0.301
ERI-UCB-fbdd3ea1-4
0.298
RAL-MED-9a5eb9cb-12
0.298
NIM-NMI-8bb27a2b-18
0.297
NIM-NMI-8bb27a2b-23
0.297
RAL-MED-9a5eb9cb-11
0.295
RAL-MED-9a5eb9cb-7
0.295
NIM-NMI-8bb27a2b-16
0.293
MAR-TRE-f5c2d31c-76
0.292
JOH-UNI-c7afdb96-18
0.291
NIM-NMI-8bb27a2b-22
0.290
MAR-TRE-a3327163-71
0.289
MAR-TRE-a3327163-88
0.286
JOH-UNI-c7afdb96-16
0.286
LON-WEI-1908424e-12
0.286
LON-WEI-b8d98729-39
0.283
ERI-UCB-fbdd3ea1-1
0.283
ERI-UCB-fbdd3ea1-2
0.283
LON-WEI-b8d98729-25
0.279
NIM-NMI-8bb27a2b-17
0.278
LON-WEI-b8d98729-41
0.275
NIM-NMI-8bb27a2b-21
0.274
KEI-TRE-d5e2018a-95
0.273
MAR-TRE-d0525fbf-92
0.273
NIM-NMI-8bb27a2b-20
0.272
MAT-POS-b5746674-56
0.272
MAR-TRE-6c5ef77a-16
0.271
LON-WEI-babf2c61-9
0.269
RAL-MED-9a5eb9cb-15
0.267
WAR-XCH-bdd24732-6
0.267
NIM-NMI-8bb27a2b-28
0.267
KEI-TRE-d5e2018a-92
0.266
MAR-TRE-6a44bbf2-85
0.266
DRA-CSI-0a78d9ba-4
0.265
KEI-TRE-d5e2018a-84
0.265
LON-WEI-adc59df6-15
0.264
LON-WEI-adc59df6-12
0.264
DRA-CSI-47e38074-6
0.264
LON-WEI-adc59df6-13
0.263
KEI-TRE-d5e2018a-88
0.263
MAR-TRE-74c6519b-56
0.263
NIM-NMI-8bb27a2b-15
0.262
LON-WEI-babf2c61-5
0.261
LON-WEI-d1c9908a-3
0.259
LON-WEI-babf2c61-6
0.257
LON-WEI-adc59df6-58
0.255
NIM-NMI-8bb27a2b-27
0.255
LON-WEI-adc59df6-45
0.255
DRA-CSI-7ec17797-2
0.254
LON-WEI-adc59df6-41
0.252
MAR-TRE-3e4e6814-98
0.252
LON-WEI-adc59df6-37
0.252
LON-WEI-babf2c61-8
0.252
LON-WEI-babf2c61-7
0.252
MAR-LAB-ff9967db-21
0.250
JAG-UCB-1d922829-4
0.250
MAR-TRE-d0525fbf-31
0.248
LON-WEI-adc59df6-87
0.248
MAT-POS-ea426761-12
0.248
LON-WEI-adc59df6-3
0.245
MAR-TRE-f5c2d31c-60
0.244
WIL-UNI-5578df48-5
0.244
LON-WEI-b8d98729-35
0.243
DAN-MCD-0c04f563-1
0.243