Molecular Properties | |
SMILES: | C=CC(=O)NC1CN(c2cc(C)cc(F)c2)C(=O)N(c2cnccc2C)C1 |
MW: | 368.412 |
Fraction sp3: | 0.25 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 65.54 |
cLogP: | 2.95494 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
AGN-NEW-63f62ae9-1
0.772
ADA-UCB-6c2cb422-7
0.336
JAG-UCB-cedd89ab-1
0.319
MAK-UNK-6ca90168-27
0.309
KIM-UNI-60f168f5-2
0.294
KIM-UNI-60f168f5-6
0.284
EDJ-MED-e66f2cc5-1
0.277
RAL-THA-901e9a10-2
0.275
KIM-UNI-60f168f5-4
0.274
IND-SYN-2c708b29-1
0.272
KIM-UNI-60f168f5-5
0.271
PET-UNK-5eca9d1d-3
0.270
VLA-UCB-00f2c2b3-3
0.269
MIC-UNK-e8a42ca9-2
0.268
VLA-UCB-1dbca3b4-4
0.267
ADA-UCB-6c2cb422-5
0.267
AHN-SAT-02ef6d10-2
0.266
LON-WEI-af038623-7
0.266
NIR-THE-b7e8e081-1
0.265
KIM-UNI-60f168f5-10
0.262
KIM-UNI-60f168f5-9
0.262
MIC-UNK-e8a42ca9-1
0.261
KIM-UNI-60f168f5-3
0.260
NAU-LAT-3f5f3993-2
0.260
PET-UNK-5eca9d1d-1
0.260
PET-UNK-7a31b064-4
0.259
KIM-UNI-60f168f5-8
0.255
JAN-GHE-bf40f168-11
0.255
JAN-GHE-d851b096-1
0.255
PET-UNK-7a31b064-3
0.255
EDJ-MED-49816e9b-4
0.252
DAR-DIA-2b784ede-31
0.252
STE-UNK-4e3fa4d2-1
0.250
DAR-DIA-2b784ede-32
0.250
PET-UNK-eda34f30-1
0.250
BEN-DND-6de5dfa0-14
0.248
EDJ-MED-3c65e9ce-4
0.247
MAT-POS-590ac91e-19
0.247
DAR-DIA-2b784ede-33
0.245
BEN-DND-6de5dfa0-27
0.245
VLA-UCB-00f2c2b3-4
0.244
DOU-UNK-b5326f8f-4
0.243
TRY-UNI-9f475305-1
0.243
KIM-UNI-60f168f5-7
0.243
PET-UNK-5eca9d1d-2
0.243
PET-UNK-94460c07-3
0.243
BEN-DND-6de5dfa0-5
0.242
TRY-UNI-69298daf-2
0.242
DOU-UNK-b5326f8f-8
0.241
MAK-UNK-9e4a73aa-31
0.241
BEN-DND-6de5dfa0-4
0.240
JAN-GHE-bf40f168-7
0.240
BEN-DND-09b88bf4-4
0.240
BEN-DND-6de5dfa0-26
0.240
ALF-EVA-46063d6e-3
0.238
JAN-GHE-bf40f168-6
0.238
BEN-DND-93268d01-8
0.237
SAD-SAT-1f400d17-8
0.237
EDJ-MED-3c65e9ce-1
0.237
DAR-DIA-2b784ede-25
0.237
DAR-DIA-2b784ede-3
0.236
MAK-UNK-6ca90168-28
0.236
BEN-DND-6de5dfa0-25
0.235
RAL-THA-901e9a10-1
0.234
VLA-UCB-00f2c2b3-5
0.233
TRY-UNI-69298daf-1
0.233
DAR-DIA-2b784ede-22
0.233
MAT-POS-590ac91e-14
0.232
BEN-DND-6de5dfa0-17
0.232
AAR-POS-d2a4d1df-3
0.232
MAK-UNK-6435e6c2-8
0.232
ALE-HEI-f28a35b5-7
0.232
TRY-UNI-714a760b-11
0.232
SAM-UNK-2684b532-8
0.231
DOU-UNK-b5326f8f-7
0.230
TRY-UNI-9f475305-9
0.230
DAR-DIA-5ff57136-8
0.230
NIM-NMI-8bb27a2b-3
0.230
DOU-UNK-b5326f8f-5
0.230
PET-UNK-94460c07-4
0.229
BEN-DND-93268d01-9
0.229
BEN-DND-93268d01-11
0.229
BEN-DND-09b88bf4-5
0.229
MAT-POS-590ac91e-23
0.229
DAR-DIA-2b784ede-24
0.229
TRY-UNI-9f475305-12
0.228
DAV-IMP-59dd6621-6
0.228
TRY-UNI-bbd40bb4-2
0.228
MIC-UNK-2744a8e2-3
0.228
SEL-UNI-cd366922-4
0.228
MAT-POS-c0143b99-1
0.228
BEN-DND-93268d01-10
0.227
MAT-POS-590ac91e-26
0.227
DAR-DIA-076fb6ea-2
0.226
BEN-DND-6de5dfa0-9
0.226
PET-SGC-01d224dd-1
0.226
MIC-UNK-df342a3f-2
0.226
TRY-UNI-9f475305-5
0.226
BEN-DND-09b88bf4-6
0.225
BEN-DND-6de5dfa0-7
0.225