Molecular Properties | |
SMILES: | CS(=O)(=O)NCCOC(C(=O)Nc1cccnc1)c1ccccc1 |
MW: | 349.412 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 97.39 |
cLogP: | 1.3272 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
Hetero_hetero
ADA-UNI-f8e79267-4
0.754
ADA-UNI-f8e79267-7
0.689
ADA-UNI-f8e79267-2
0.581
PET-SGC-b0f8bd49-1
0.562
BEN-DND-362d364a-12
0.562
PET-SGC-d0156db4-1
0.562
DRE-WAB-ae4a693c-1
0.562
ADA-UNI-f8e79267-10
0.512
TAM-UNI-c140e31a-10
0.500
ASH-UNK-40b46b30-3
0.481
ADA-UNI-f8e79267-5
0.474
ADA-UNI-f8e79267-8
0.459
ASH-UNK-40b46b30-13
0.444
KEI-TRE-d5e2018a-81
0.443
ZAC-WAB-d55a3c2e-2
0.440
ZAC-WAB-3baddbb3-1
0.440
AUS-ARG-7cfdce8f-11
0.431
MAR-TRE-2fd8122f-90
0.410
ADA-UNI-f8e79267-3
0.400
KEI-TRE-d5e2018a-43
0.395
KEI-TRE-d5e2018a-40
0.393
MAR-TRE-2fd8122f-97
0.390
KEI-TRE-d5e2018a-55
0.388
PET-SGC-d0156db4-2
0.388
KEI-TRE-d5e2018a-42
0.386
MAD-FNM-74857450-1
0.385
WIL-UNI-5578df48-4
0.383
WAR-XCH-6eb0722e-5
0.382
JOH-IMS-62aeb97d-2
0.382
KEI-TRE-d5e2018a-27
0.381
MAR-TRE-7f7bb9f0-16
0.381
MAR-TRE-2fd8122f-79
0.380
WAR-XCH-6eb0722e-4
0.378
MED-UNK-e6e8ef8a-1
0.377
KEI-TRE-d5e2018a-25
0.376
KEI-TRE-d5e2018a-69
0.376
MAK-UNK-b2c98f02-5
0.376
KEI-TRE-d5e2018a-34
0.375
KEI-TRE-d5e2018a-76
0.375
WIL-UNI-5578df48-2
0.375
WAR-XCH-6eb0722e-1
0.374
MAR-TRE-67513f76-32
0.373
KEI-TRE-d5e2018a-17
0.373
KEI-TRE-d5e2018a-99
0.373
MAK-UNK-a7b37c5e-2
0.372
AAR-POS-d2a4d1df-11
0.371
MAR-TRE-3e4e6814-93
0.370
SAN-PRS-52b81272-3
0.370
SAN-PRS-52b81272-2
0.370
WAR-XCH-6eb0722e-6
0.370
KEI-TRE-d5e2018a-24
0.368
ADA-UNI-f8e79267-11
0.368
MAK-UNK-ca11b4f7-1
0.368
JOH-IMS-62aeb97d-5
0.368
WAR-XCH-6eb0722e-2
0.366
BEN-DND-362d364a-10
0.366
MAK-UNK-c749d764-9
0.364
LON-WEI-b2874fec-25
0.363
MAR-TRE-f6f5f473-31
0.363
CHR-SOS-f7373dd1-1
0.361
KEI-TRE-d5e2018a-29
0.360
SAD-SAT-689b7d5a-5
0.360
MAK-UNK-f0bfc2e0-1
0.360
KEI-TRE-d5e2018a-47
0.360
KEI-TRE-d5e2018a-80
0.360
MAR-TRE-67513f76-81
0.358
WAR-XCH-6eb0722e-3
0.358
ALE-HEI-f28a35b5-15
0.356
KEI-TRE-d5e2018a-16
0.356
WIL-UNI-5578df48-3
0.354
CHR-SOS-f7373dd1-4
0.354
MAK-UNK-ca11b4f7-3
0.353
MAK-UNK-ca11b4f7-2
0.353
KEI-TRE-d5e2018a-19
0.352
BAR-COM-5694a99d-3
0.352
MAR-TRE-2fd8122f-56
0.352
DUN-NEW-f8ce3686-4
0.351
SER-UNI-985a0e14-1
0.350
MAR-TRE-7f7bb9f0-49
0.350
SAD-SAT-689b7d5a-4
0.349
MAR-TRE-2fd8122f-69
0.349
MAR-TRE-04c86cea-97
0.349
JIA-UNI-12b1f9ae-1
0.349
WIL-WAB-6ef46ddb-1
0.348
PET-SGC-d5b502b1-1
0.348
MAK-UNK-a7b37c5e-1
0.346
WIL-UNI-5578df48-1
0.346
MAR-TRE-67513f76-93
0.346
EMI-TUK-a58865cc-5
0.345
PED-UNI-8d53fd73-1
0.345
DAN-RED-da448e80-1
0.345
PED-UNI-5b7f1100-1
0.345
DRE-WAB-eb790b7a-1
0.345
ADA-UNI-f8e79267-9
0.344
MAR-TRE-2fd8122f-95
0.344
MED-UNK-e6e8ef8a-7
0.342
ANT-DIA-3c79be55-4
0.341
CHR-SOS-70e4c98a-6
0.341
MAK-UNK-c749d764-7
0.341
SAD-SAT-135344c3-3
0.341