Molecular Properties | |
SMILES: | Cc1nnc(NC(=O)C2CCOc3ccc(Cl)c(F)c32)n1C1CC1F |
MW: | 368.09 |
Fraction sp3: | 0.44 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 69.04 |
cLogP: | 3.17 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JOH-UNI-d0d90dc1-1
0.667
JOH-UNI-04a01eac-1
0.586
JOH-UNI-04a01eac-3
0.516
RAL-THA-05e671eb-28
0.469
RAL-THA-f8a0f917-2
0.433
JAG-UCB-c61058a9-44
0.418
RAL-THA-f8a0f917-1
0.412
JOH-UNI-d0d90dc1-5
0.408
JAG-UCB-c61058a9-1
0.356
JAG-UCB-47403a7c-1
0.356
JOH-UNI-d0d90dc1-3
0.350
EDJ-MED-e4b030d8-8
0.346
RAL-THA-05e671eb-29
0.346
RAL-THA-05e671eb-30
0.324
EDJ-MED-e4b030d8-10
0.324
RAL-THA-05e671eb-27
0.324
JAG-UCB-c61058a9-21
0.317
RAL-THA-05e671eb-31
0.310
JAG-UCB-c61058a9-2
0.308
EDG-MED-a20b5824-1
0.305
EDG-MED-fe7487f8-9
0.305
RAL-THA-b74298ba-3
0.305
ANT-OPE-66a89c65-1
0.301
RAL-THA-b74298ba-1
0.298
RAL-THA-6ca1b233-4
0.296
JAG-UCB-c61058a9-32
0.295
RAL-THA-05e671eb-32
0.294
MIC-UNK-deda7a44-6
0.294
NAU-LAT-8502cac5-16
0.292
JAG-UCB-a3ef7265-20
0.292
JAG-UCB-119787ef-1
0.292
MAT-POS-968e8d9c-1
0.292
RAL-THA-05e671eb-33
0.291
MAR-UCB-9ef021e0-1
0.288
MIC-UNK-deda7a44-7
0.288
RAL-THA-04c5403f-2
0.286
NAU-LAT-8502cac5-10
0.286
LON-WEI-0a73fcb8-4
0.286
MAT-UCB-70f7c0f7-6
0.286
RAL-THA-b74298ba-2
0.284
RAL-THA-6ca1b233-3
0.280
NAU-LAT-b7d8c353-7
0.280
RAL-THA-05e671eb-34
0.279
ERI-UCB-a38d41be-1
0.279
JUL-TUD-06b2044f-88
0.279
MAT-POS-afb6844f-1
0.278
ERI-UCB-9c7ec71b-4
0.275
EDG-MED-fe7487f8-8
0.275
RAL-THA-6ca1b233-2
0.275
MAT-POS-1f3c8e6f-1
0.275
RAL-THA-05e671eb-36
0.274
RAL-THA-3d7a794f-4
0.274
MAT-POS-afb6844f-2
0.273
ALF-EVA-5b152d2f-2
0.272
ROB-UNI-569bc02e-7
0.272
LON-WEI-0a73fcb8-3
0.272
JAG-UCB-c61058a9-34
0.271
JOH-UNI-16fcdf60-1
0.271
JOH-UNI-1b27fa5e-4
0.270
MAT-POS-b3e365b9-4
0.269
MAT-POS-b3e365b9-3
0.269
BRU-THA-a358fbdd-3
0.269
NAU-LAT-8502cac5-11
0.269
DAR-DIA-6a508060-6
0.269
JAN-GHE-f4ca5a00-13
0.269
JAG-UCB-c61058a9-17
0.269
BRU-CON-c4e3408a-1
0.269
RAL-THA-b74298ba-4
0.268
MAT-POS-afb6844f-3
0.268
MAT-POS-51833a24-4
0.267
JAG-UCB-52b62a6f-11
0.267
EDJ-MED-2c295496-1
0.267
EDJ-MED-0e996074-1
0.267
JOH-UNI-1b27fa5e-7
0.266
MAT-POS-7ddaf7de-4
0.266
TAT-ENA-0e28ea53-1
0.266
EDG-MED-5d232de5-1
0.265
EDG-MED-5d232de5-2
0.265
ALP-POS-696356e4-1
0.265
ALP-POS-ce760d3f-7
0.265
JAG-UCB-c61058a9-37
0.265
BEN-DND-a7517465-11
0.265
JUL-TUD-06b2044f-17
0.265
PET-UNK-158bee2a-7
0.264
EDG-MED-fe7487f8-3
0.264
RAL-THA-6ca1b233-1
0.264
ALP-UNI-3735e77e-3
0.263
RAL-THA-05e671eb-35
0.263
RAL-THA-05e671eb-11
0.263
NAU-LAT-8502cac5-14
0.263
JAG-UCB-c61058a9-16
0.261
ANT-OPE-3d7cb11b-3
0.261
EDG-MED-4b32601a-2
0.261
RAL-THA-3d7a794f-2
0.261
EDG-MED-fe7487f8-1
0.261
MAT-POS-500f4700-1
0.261
JAG-UCB-52b62a6f-2
0.261
MAT-POS-51833a24-5
0.261
EDJ-MED-611d11e7-6
0.261
ROB-UNI-569bc02e-1
0.261