Molecular Properties | |
SMILES: | CCC(C(=O)Nc1cccnc1)N(c1ccccc1F)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-9929369589 |
MolPort: | MolPort-019-797-572 |
Hetero_hetero
ALE-HEI-f28a35b5-9
KEI-TRE-d5e2018a-81
0.634
KEI-TRE-d5e2018a-55
0.622
KEI-TRE-d5e2018a-24
0.571
KEI-TRE-d5e2018a-16
0.550
KEI-TRE-d5e2018a-42
0.463
KEI-TRE-d5e2018a-25
0.451
KEI-TRE-d5e2018a-69
0.451
MAR-TRE-67513f76-32
0.450
KEI-TRE-d5e2018a-99
0.450
KEI-TRE-d5e2018a-29
0.434
KEI-TRE-d5e2018a-40
0.434
KEI-TRE-d5e2018a-17
0.432
KEI-TRE-d5e2018a-47
0.430
KEI-TRE-d5e2018a-76
0.430
JOH-IMS-62aeb97d-2
0.427
KEI-TRE-d5e2018a-19
0.424
KEI-TRE-d5e2018a-27
0.422
MAR-TRE-7f7bb9f0-16
0.422
KEI-TRE-d5e2018a-34
0.414
KEI-TRE-d5e2018a-80
0.414
ASH-UNK-40b46b30-3
0.398
PET-SGC-d0156db4-1
0.398
BEN-DND-362d364a-12
0.398
PET-SGC-b0f8bd49-1
0.398
DRE-WAB-ae4a693c-1
0.398
ADA-UNI-f8e79267-1
0.395
MAR-TRE-7f7bb9f0-92
0.391
ASH-UNK-40b46b30-13
0.384
ADA-UNI-f8e79267-2
0.384
JOH-IMS-62aeb97d-5
0.377
MAR-TRE-2fd8122f-79
0.370
ZAC-WAB-3baddbb3-1
0.367
ZAC-WAB-d55a3c2e-2
0.367
ADA-UNI-f8e79267-7
0.366
ADA-UNI-f8e79267-4
0.365
KEI-TRE-d5e2018a-89
0.364
KEI-TRE-d5e2018a-56
0.362
MAR-TRE-3e4e6814-93
0.361
ADA-UNI-f8e79267-5
0.357
MAR-TRE-2fd8122f-69
0.357
MAK-UNK-ca11b4f7-1
0.357
MAR-TRE-2fd8122f-65
0.356
KEI-TRE-d5e2018a-23
0.355
MAR-TRE-4b834d9a-27
0.355
MAK-UNK-f0bfc2e0-1
0.352
KEI-TRE-d5e2018a-82
0.351
MED-UNK-e6e8ef8a-7
0.350
MED-UNK-e6e8ef8a-1
0.350
MAK-UNK-c749d764-7
0.348
MAR-TRE-67513f76-81
0.348
KEI-TRE-d5e2018a-93
0.347
WIL-UNI-5578df48-2
0.347
KEI-TRE-d5e2018a-91
0.344
MAK-UNK-ca11b4f7-3
0.343
ISA-SCH-8e98219b-1
0.342
MAR-TRE-7f7bb9f0-49
0.341
MAK-UNK-d1e89583-8
0.341
JIA-UNI-12b1f9ae-1
0.341
ADA-UNI-f8e79267-8
0.340
MAK-UNK-b2c98f02-5
0.340
MAK-UNK-a7b37c5e-1
0.338
MAK-UNK-c749d764-17
0.338
WIL-UNI-5578df48-1
0.337
TAM-UNI-c140e31a-10
0.337
ADA-UNI-f8e79267-10
0.337
MAR-TRE-7f7bb9f0-6
0.333
ANT-DIA-3c79be55-4
0.333
MAR-TRE-2fd8122f-58
0.333
BAR-COM-5694a99d-4
0.333
DAR-DIA-842b4336-12
0.333
IAN-BAS-df1706d7-1
0.333
MAR-TRE-2fd8122f-4
0.333
MAR-TRE-4b834d9a-79
0.330
WAR-XCH-6eb0722e-2
0.330
KEI-TRE-d5e2018a-100
0.330
MAR-TRE-2fd8122f-56
0.330
BAR-COM-21d20d65-9
0.330
WIL-UNI-5578df48-3
0.329
MAK-UNK-a7b37c5e-2
0.329
MAK-UNK-a7b37c5e-5
0.329
AUS-ARG-7cfdce8f-11
0.329
ALE-HEI-f28a35b5-15
0.329
WAR-XCH-6eb0722e-4
0.326
MAR-TRE-4b834d9a-16
0.326
KEI-TRE-d5e2018a-7
0.326
KEI-TRE-d5e2018a-92
0.326
MAK-UNK-c749d764-9
0.326
SAD-SAT-689b7d5a-6
0.326
MAR-TRE-2fd8122f-98
0.326
SAD-SAT-689b7d5a-4
0.326
WIL-UNI-5578df48-4
0.326
SAN-PRS-52b81272-2
0.325
SAN-PRS-52b81272-3
0.325
DAR-DIA-842b4336-1
0.325
AAR-POS-d2a4d1df-11
0.324
MAK-UNK-ca11b4f7-2
0.324
WAR-XCH-6eb0722e-3
0.323
MAR-TRE-74c6519b-79
0.323
WAR-XCH-6eb0722e-1
0.323
KEI-TRE-d5e2018a-71
0.323