Molecular Properties | |
SMILES: | FC(F)(F)c1ccc(Cc2c[nH]c3ncccc23)cc1 |
MW: | 276.09 |
Fraction sp3: | 0.13 |
HBA: | 1 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 28.68 |
cLogP: | 4.17 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-UCB-195bc32d-10
0.507
MAR-TRE-3159af1a-8
0.419
MAR-UCB-195bc32d-13
0.406
TRY-UNI-1fd04853-7
0.400
MAR-TRE-3159af1a-9
0.387
TRY-UNI-1fd04853-8
0.385
TRY-UNI-1fd04853-11
0.380
KAL-WAB-eb347ebe-1
0.378
MAK-UNK-b1917cc8-5
0.368
NIC-BIO-25446079-4
0.367
RED-RED-10c9212c-49
0.366
AAR-POS-d2a4d1df-20
0.364
IND-SYN-6c8299e8-5
0.364
IND-SYN-3aa4e743-1
0.364
TRY-UNI-1fd04853-5
0.362
NIC-BIO-3276ca7f-5
0.360
NIC-BIO-25446079-1
0.359
NIC-BIO-25446079-2
0.359
NIC-BIO-3276ca7f-1
0.357
NIC-BIO-3276ca7f-4
0.357
DAR-DIA-23aa0b97-12
0.350
MAR-TRE-3159af1a-33
0.350
TRY-UNI-1fd04853-6
0.349
TRY-UNI-1fd04853-12
0.349
DAR-DIA-23aa0b97-1
0.349
MAR-TRE-3159af1a-41
0.349
NIC-BIO-25446079-3
0.346
ANT-DIA-3c79be55-1
0.346
TRY-UNI-1fd04853-9
0.341
ANT-DIA-3c79be55-3
0.341
SAD-SAT-f25ee457-5
0.337
NIC-BIO-29f4a211-1
0.337
MAR-TRE-3159af1a-37
0.337
NIC-BIO-3276ca7f-6
0.333
MAR-TRE-3159af1a-76
0.333
TAM-UNI-c140e31a-4
0.330
NIC-BIO-ec630548-3
0.330
MAR-TRE-3159af1a-84
0.330
MAR-TRE-3159af1a-66
0.330
SWA-SYN-6423ea73-10
0.326
SWA-SYN-d2e6fa14-9
0.326
NIC-BIO-29f4a211-2
0.326
NIC-BIO-ec630548-1
0.326
DAR-DIA-23aa0b97-2
0.326
TRY-UNI-1fd04853-10
0.326
NIC-BIO-f814dd3d-1
0.323
SWA-SYN-6423ea73-4
0.322
SWA-SYN-d2e6fa14-4
0.322
NIC-BIO-ec630548-2
0.322
MAR-TRE-3159af1a-40
0.322
MAR-TRE-3159af1a-90
0.322
ZAC-WAB-d55a3c2e-1
0.319
ZAC-WAB-2baeb60f-1
0.319
NIC-BIO-ec630548-4
0.318
MAR-TRE-3159af1a-1
0.316
TAM-UNI-c140e31a-8
0.312
TAM-UNI-c140e31a-17
0.309
TAM-UNI-c140e31a-18
0.309
MAR-TRE-3159af1a-44
0.309
MAR-TRE-3159af1a-21
0.309
MAR-TRE-3159af1a-70
0.309
ZAC-WAB-86e8bacf-1
0.305
MAK-UNK-de8f6d00-1
0.303
MAR-TRE-3159af1a-75
0.302
MAR-TRE-3159af1a-99
0.302
NIC-BIO-96ee2ca4-1
0.301
MAR-TRE-3159af1a-16
0.299
NAU-LAT-81109c57-7
0.299
TAM-UNI-c140e31a-5
0.295
SAD-SAT-f25ee457-10
0.295
MAR-TRE-3159af1a-2
0.292
ASH-UNK-40b46b30-18
0.292
TAM-UNI-c140e31a-9
0.291
TAM-UNI-c140e31a-19
0.291
SAD-SAT-f25ee457-6
0.290
PET-SGC-fc67af9f-1
0.286
MAR-TRE-3159af1a-58
0.284
MAK-UNK-10572812-12
0.283
MAR-TRE-3159af1a-24
0.283
MAK-UNK-de8f6d00-5
0.282
MAK-UNK-10572812-11
0.280
GAB-FRA-261eb2a6-1
0.280
MAK-UNK-de8f6d00-8
0.280
MAK-UNK-de8f6d00-3
0.280
MAK-UNK-de8f6d00-6
0.279
DOU-UNK-b5326f8f-17
0.278
BEN-BAS-bb561ced-1
0.278
RAL-THA-2d450e86-32
0.277
MAK-UNK-10572812-9
0.276
NIC-BIO-96ee2ca4-2
0.275
MAK-UNK-de8f6d00-2
0.275
NIC-BIO-174c9b04-1
0.274
NIM-UNI-bb9030bf-2
0.273
DAR-DIA-23aa0b97-11
0.273
MAK-UNK-10572812-1
0.273
MAK-UNK-de8f6d00-7
0.272
ASH-UNK-40b46b30-14
0.272
SHR-UNK-cde60afe-1
0.272
DOU-UNK-b5326f8f-15
0.271
NIC-BIO-5044b423-1
0.267