Molecular Properties | |
SMILES: | CCC(C(=O)Nc1cccnc1)N(c1ccc(F)cc1)S(C)(=O)=O |
MW: | 351.11 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 79.37 |
cLogP: | 2.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7044533664 |
MolPort: | MolPort-006-778-422 |
Hetero_hetero
ALE-HEI-f28a35b5-9
KEI-TRE-d5e2018a-81
0.754
KEI-TRE-d5e2018a-42
0.667
KEI-TRE-d5e2018a-24
0.653
KEI-TRE-d5e2018a-16
0.627
KEI-TRE-d5e2018a-43
0.622
KEI-TRE-d5e2018a-69
0.519
MAR-TRE-67513f76-32
0.500
KEI-TRE-d5e2018a-99
0.500
KEI-TRE-d5e2018a-25
0.500
MAR-TRE-7f7bb9f0-16
0.487
KEI-TRE-d5e2018a-27
0.487
KEI-TRE-d5e2018a-29
0.481
WIL-UNI-5578df48-1
0.473
KEI-TRE-d5e2018a-17
0.462
KEI-TRE-d5e2018a-80
0.458
KEI-TRE-d5e2018a-19
0.451
KEI-TRE-d5e2018a-34
0.440
JOH-IMS-62aeb97d-2
0.438
MAR-TRE-7f7bb9f0-92
0.432
KEI-TRE-d5e2018a-40
0.427
KEI-TRE-d5e2018a-76
0.424
MAR-TRE-d0525fbf-92
0.411
KEI-TRE-d5e2018a-95
0.411
MAK-UNK-a7b37c5e-5
0.411
ADA-UNI-f8e79267-2
0.410
ISA-SCH-8e98219b-1
0.408
BEN-DND-362d364a-12
0.407
PET-SGC-d0156db4-1
0.407
DRE-WAB-ae4a693c-1
0.407
PET-SGC-b0f8bd49-1
0.407
ASH-UNK-40b46b30-3
0.407
KEI-TRE-d5e2018a-47
0.407
MAK-UNK-f0bfc2e0-1
0.393
ADA-UNI-f8e79267-1
0.388
JOH-IMS-62aeb97d-5
0.388
WIL-UNI-5578df48-33
0.380
MAR-TRE-7f7bb9f0-56
0.380
MAR-TRE-2fd8122f-79
0.380
KEI-TRE-d5e2018a-92
0.379
ADA-UNI-f8e79267-8
0.378
ASH-UNK-40b46b30-13
0.376
ZAC-WAB-3baddbb3-1
0.375
WIL-UNI-5578df48-2
0.375
ZAC-WAB-d55a3c2e-2
0.375
KEI-TRE-d5e2018a-1
0.374
KEI-TRE-d5e2018a-82
0.374
ADA-UNI-f8e79267-4
0.373
MAK-UNK-ca11b4f7-3
0.373
MAR-TRE-d0525fbf-97
0.370
KEI-TRE-d5e2018a-56
0.370
MAK-UNK-ca11b4f7-1
0.368
ADA-UNI-f8e79267-5
0.366
MAR-TRE-4b834d9a-27
0.363
KEI-TRE-d5e2018a-23
0.363
MED-UNK-e6e8ef8a-7
0.359
MED-UNK-e6e8ef8a-1
0.359
ADA-UNI-f8e79267-7
0.359
MAR-TRE-67513f76-81
0.358
WIL-UNI-5578df48-7
0.358
ANT-DIA-3c79be55-4
0.358
KEI-TRE-d5e2018a-54
0.356
MAR-TRE-f6f5f473-79
0.356
WIL-UNI-5578df48-3
0.354
MAR-TRE-3e4e6814-93
0.354
MAR-TRE-2fd8122f-45
0.352
KEI-TRE-d5e2018a-91
0.352
KEI-TRE-d5e2018a-100
0.352
NAU-LAT-445f63e5-2
0.351
MAR-TRE-7f7bb9f0-49
0.350
MAR-TRE-2fd8122f-69
0.349
MAR-TRE-4b834d9a-16
0.348
KEI-TRE-d5e2018a-7
0.348
MAK-UNK-c749d764-9
0.348
KEI-TRE-d5e2018a-65
0.348
MAK-UNK-c749d764-17
0.346
MAR-TRE-67513f76-93
0.346
EMI-TUK-a58865cc-5
0.345
TAM-UNI-c140e31a-10
0.345
ADA-UNI-f8e79267-10
0.344
MAR-TRE-2fd8122f-84
0.344
DAR-DIA-842b4336-12
0.342
MAR-TRE-2fd8122f-97
0.341
WIL-UNI-5578df48-34
0.341
KEI-TRE-d5e2018a-89
0.341
MAK-UNK-c749d764-7
0.341
KEI-TRE-d5e2018a-4
0.341
MAR-TRE-2fd8122f-4
0.340
LON-WEI-adc59df6-41
0.340
ALE-HEI-f28a35b5-15
0.338
AUS-ARG-7cfdce8f-11
0.338
EMI-TUK-a58865cc-7
0.337
ADA-UNI-f8e79267-11
0.337
MAR-TRE-04c86cea-35
0.337
MAR-TRE-4b834d9a-42
0.333
MAR-TRE-2fd8122f-52
0.333
WIL-UNI-5578df48-4
0.333
MAK-UNK-b2c98f02-5
0.333
JIA-UNI-12b1f9ae-1
0.333
SAN-PRS-52b81272-3
0.333
MAR-TRE-2fd8122f-10
0.333