Molecular Properties | |
SMILES: | CC(C(=O)Nc1cccnc1)N(c1cccc(F)c1)S(C)(=O)=O |
MW: | 337.09 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 79.37 |
cLogP: | 2.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3989542963 |
MolPort: | MolPort-019-798-646 |
Hetero_hetero
ALE-HEI-f28a35b5-9
KEI-TRE-d5e2018a-29
0.758
KEI-TRE-d5e2018a-19
0.735
KEI-TRE-d5e2018a-34
0.714
KEI-TRE-d5e2018a-42
0.701
KEI-TRE-d5e2018a-17
0.662
KEI-TRE-d5e2018a-80
0.644
MAR-TRE-67513f76-32
0.638
KEI-TRE-d5e2018a-99
0.638
KEI-TRE-d5e2018a-69
0.634
MAR-TRE-7f7bb9f0-16
0.620
KEI-TRE-d5e2018a-27
0.620
MAR-TRE-7f7bb9f0-92
0.603
KEI-TRE-d5e2018a-40
0.568
KEI-TRE-d5e2018a-47
0.538
KEI-TRE-d5e2018a-76
0.538
KEI-TRE-d5e2018a-24
0.532
KEI-TRE-d5e2018a-16
0.512
KEI-TRE-d5e2018a-55
0.500
KEI-TRE-d5e2018a-81
0.487
KEI-TRE-d5e2018a-43
0.451
ASH-UNK-40b46b30-1
0.440
ASH-UNK-40b46b30-3
0.395
JOH-IMS-62aeb97d-2
0.387
MAR-TRE-2fd8122f-56
0.386
MAR-TRE-4b834d9a-16
0.384
KEI-TRE-d5e2018a-92
0.384
KEI-TRE-d5e2018a-7
0.384
MED-UNK-e6e8ef8a-1
0.382
BEN-DND-362d364a-12
0.378
PET-SGC-b0f8bd49-1
0.378
PET-SGC-d0156db4-1
0.378
DRE-WAB-ae4a693c-1
0.378
ADA-UNI-f8e79267-7
0.378
ADA-UNI-f8e79267-1
0.376
KEI-TRE-d5e2018a-4
0.375
MAR-TRE-3e4e6814-93
0.375
MAR-TRE-7f7bb9f0-49
0.372
WIL-UNI-5578df48-1
0.367
ADA-UNI-f8e79267-8
0.367
ADA-UNI-f8e79267-2
0.365
MAK-UNK-f0bfc2e0-1
0.365
ASH-UNK-40b46b30-13
0.365
ADA-UNI-f8e79267-10
0.364
MED-UNK-e6e8ef8a-7
0.364
KAY-MCD-59dc2eb3-1
0.363
ADA-UNI-f8e79267-4
0.361
MAR-TRE-2fd8122f-97
0.361
WIL-UNI-5578df48-2
0.361
LON-WEI-adc59df6-46
0.361
KEI-TRE-d5e2018a-89
0.360
MAR-TRE-2fd8122f-4
0.359
MAK-UNK-ca11b4f7-3
0.358
MAK-UNK-ca11b4f7-1
0.353
JOH-IMS-62aeb97d-5
0.353
MAR-TRE-2fd8122f-1
0.351
MAR-TRE-2fd8122f-79
0.350
ZAC-WAB-3baddbb3-1
0.348
ZAC-WAB-d55a3c2e-2
0.348
IAN-BAS-df1706d7-1
0.345
MAK-UNK-c749d764-7
0.345
KEI-TRE-d5e2018a-54
0.344
KEI-TRE-d5e2018a-56
0.344
MAR-TRE-67513f76-81
0.343
MAK-UNK-a7b37c5e-5
0.342
WAR-XCH-eb7b662f-6
0.342
SAD-SAT-2fd372d1-7
0.342
CHA-MCP-85291e1d-4
0.341
BAR-COM-21d20d65-9
0.341
MAR-TRE-2fd8122f-45
0.341
ADA-UNI-f8e79267-11
0.341
WIL-UNI-5578df48-33
0.340
MAR-TRE-d0525fbf-92
0.340
KEI-TRE-d5e2018a-95
0.340
MAK-UNK-ca11b4f7-2
0.338
ISA-SCH-8e98219b-1
0.338
MAR-TRE-2fd8122f-69
0.337
WIL-UNI-5578df48-4
0.337
CHA-MCP-85291e1d-2
0.337
ADA-UNI-f8e79267-5
0.337
MAK-UNK-c749d764-9
0.337
KEI-TRE-d5e2018a-65
0.337
MAC-MCD-76766525-1
0.336
MAK-UNK-c749d764-17
0.333
MAR-TRE-2fd8122f-51
0.333
MAR-TRE-2fd8122f-2
0.333
MAR-TRE-7f7bb9f0-56
0.333
KEI-TRE-d5e2018a-82
0.333
ADA-UNI-f8e79267-9
0.333
ASH-UNK-40b46b30-7
0.330
MAR-TRE-7f7bb9f0-6
0.330
MAK-UNK-009ebe36-2
0.330
SAD-SAT-f25ee457-7
0.330
BAR-COM-5694a99d-4
0.330
EMI-TUK-a58865cc-3
0.329
ANT-DIA-3c79be55-4
0.329
WIL-UNI-5578df48-21
0.329
DAR-DIA-842b4336-12
0.329
KEI-TRE-d5e2018a-2
0.326
JOR-UNI-2fc98d0b-17
0.326
KEI-TRE-d5e2018a-91
0.326