Molecular Properties | |
SMILES: | O=C(CSc1cc(C(F)(F)F)cc(-c2ccc(F)cc2)n1)Nc1cccnc1 |
MW: | 407.07 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 54.88 |
cLogP: | 5.03 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
high halogen content (>3)
ALE-HEI-f28a35b5-9
MAR-TRE-3e4e6814-66
0.467
KEI-TRE-d5e2018a-66
0.446
KEI-TRE-d5e2018a-51
0.427
MAK-UNK-a7b37c5e-5
0.412
MAR-TRE-7f7bb9f0-56
0.384
MAR-TRE-7f7bb9f0-58
0.374
MAR-TRE-74c6519b-35
0.366
MAR-TRE-67513f76-81
0.365
ISA-SCH-8e98219b-1
0.358
MAR-TRE-2fd8122f-45
0.358
JOH-IMS-62aeb97d-5
0.355
MAK-UNK-ca11b4f7-1
0.355
KEI-TRE-d5e2018a-67
0.354
MAR-TRE-67513f76-93
0.352
MAR-TRE-3e4e6814-65
0.351
DAR-DIA-842b4336-11
0.349
ALE-HEI-f28a35b5-14
0.346
AUS-ARG-7cfdce8f-11
0.345
MED-UNK-e6e8ef8a-2
0.345
FRA-FAC-9ed5a63a-2
0.345
MAR-TRE-9c797165-94
0.344
SAD-SAT-24589cd1-4
0.337
MAR-TRE-2fd8122f-47
0.337
MAR-TRE-f6f5f473-71
0.337
MED-UNK-e6e8ef8a-5
0.333
NAU-LAT-64f4b287-10
0.333
MAK-UNK-a7b37c5e-4
0.333
MAR-TRE-d0525fbf-64
0.333
MAR-TRE-f6f5f473-85
0.333
KEI-TRE-d5e2018a-95
0.330
MAR-TRE-d0525fbf-92
0.330
MAR-TRE-3e4e6814-28
0.330
KEI-TRE-d5e2018a-42
0.330
MAR-TRE-04c86cea-96
0.327
MAR-TRE-04c86cea-31
0.327
MAR-TRE-7f7bb9f0-74
0.326
SAN-PRS-52b81272-2
0.325
MAK-UNK-ca11b4f7-3
0.325
MAR-TRE-9c797165-52
0.323
MED-UNK-e6e8ef8a-4
0.322
WIL-UNI-5578df48-1
0.322
ALE-HEI-f28a35b5-9
0.322
MAK-UNK-c749d764-17
0.322
FRA-FAC-9ed5a63a-1
0.322
AAR-POS-d2a4d1df-13
0.322
DAR-DIA-23aa0b97-16
0.322
TAM-UNI-c140e31a-3
0.321
TAM-UNI-c140e31a-12
0.320
MAR-TRE-d0525fbf-97
0.320
MAR-TRE-04c86cea-71
0.320
MAR-TRE-9c797165-12
0.320
MAR-TRE-3e4e6814-49
0.320
MAR-TRE-b77b7921-80
0.320
MAR-TRE-2fd8122f-78
0.319
DAR-DIA-842b4336-12
0.318
ALE-HEI-f28a35b5-5
0.318
DAR-DIA-842b4336-13
0.318
EDG-MED-0da5ad92-2
0.318
MAR-TRE-67513f76-97
0.317
WIL-UNI-1faa9b10-8
0.316
MAR-TRE-67513f76-55
0.316
MAR-TRE-7f7bb9f0-46
0.315
MAR-TRE-67513f76-73
0.315
MED-UNK-e6e8ef8a-3
0.315
MAR-TRE-9c797165-22
0.314
MAR-TRE-2fd8122f-10
0.314
MAR-TRE-4b834d9a-42
0.314
MAR-TRE-9c797165-14
0.313
MAR-TRE-9c797165-57
0.313
CHA-MCP-85291e1d-2
0.312
MAR-TRE-d0525fbf-84
0.311
CHR-SOS-f7373dd1-5
0.311
MAR-TRE-67513f76-69
0.311
MAR-TRE-2fd8122f-80
0.311
DAR-DIA-842b4336-10
0.310
MAR-TRE-2fd8122f-39
0.310
MAR-TRE-f6f5f473-46
0.310
TAM-UNI-c140e31a-10
0.309
MAR-TRE-2fd8122f-93
0.308
MAR-TRE-9c797165-87
0.308
KEI-TRE-d5e2018a-94
0.308
MAK-UNK-ca11b4f7-2
0.308
MAR-TRE-2fd8122f-83
0.308
MAR-TRE-7f7bb9f0-15
0.308
MAR-TRE-f6f5f473-79
0.307
MAR-TRE-67513f76-22
0.307
MAK-UNK-a7b37c5e-1
0.307
BEN-VAN-ed886787-2
0.306
MAR-TRE-2fd8122f-68
0.306
MAR-TRE-9c797165-48
0.306
KEI-TRE-d5e2018a-55
0.306
CHR-SOS-70e4c98a-11
0.306
MAR-TRE-2fd8122f-99
0.305
MAR-TRE-67513f76-13
0.305
WIL-UNI-5578df48-33
0.305
TAM-UNI-c140e31a-14
0.305
MAR-TRE-2fd8122f-57
0.304
CHR-SOS-f7373dd1-2
0.304
CHR-SOS-70e4c98a-6
0.304
MAR-TRE-d0525fbf-91
0.304