Molecular Properties | |
SMILES: | CC(C)[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccnc1 |
MW: | 354.14 |
Fraction sp3: | 0.53 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 117.26 |
cLogP: | 0.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Dipeptide
MAR-TRE-7f7bb9f0-68
0.564
MAR-TRE-2fd8122f-44
0.500
MAR-TRE-2fd8122f-28
0.494
MED-UNK-e6e8ef8a-1
0.429
MAR-TRE-2fd8122f-1
0.419
MED-UNK-e6e8ef8a-7
0.392
MAR-TRE-2fd8122f-90
0.391
ALE-HEI-f28a35b5-8
0.385
JOH-IMS-62aeb97d-2
0.380
MAR-TRE-2fd8122f-79
0.378
SAD-SAT-689b7d5a-9
0.378
FRA-FAC-9ed5a63a-3
0.375
ASH-UNK-40b46b30-13
0.375
ADA-UNI-f8e79267-5
0.365
MAR-TRE-04c86cea-76
0.362
DAR-DIA-842b4336-2
0.359
FRA-FAC-9ed5a63a-4
0.357
MAR-TRE-3e4e6814-93
0.353
AAR-POS-d2a4d1df-11
0.351
SAD-SAT-135344c3-5
0.351
MAR-TRE-7f7bb9f0-49
0.349
SAD-SAT-689b7d5a-4
0.349
MAR-TRE-b77b7921-77
0.347
JOH-IMS-62aeb97d-5
0.347
ZAC-WAB-d55a3c2e-2
0.344
ZAC-WAB-3baddbb3-1
0.344
MED-UNK-e6e8ef8a-6
0.341
MED-UNK-e6e8ef8a-5
0.341
NIM-UNI-02269248-2
0.340
JAN-GHE-4287bd1a-9
0.337
CHR-SOS-f7373dd1-4
0.337
MAR-TRE-2fd8122f-56
0.337
WIL-UNI-5578df48-25
0.337
CHR-SOS-f7373dd1-6
0.333
MAK-UNK-ca11b4f7-3
0.333
MAK-UNK-b2c98f02-5
0.333
ADA-UNI-f8e79267-2
0.330
CHR-SOS-f7373dd1-1
0.330
MAR-TRE-9c797165-52
0.330
MAR-TRE-9c797165-80
0.329
MAR-TRE-67513f76-93
0.329
DAR-DIA-842b4336-6
0.329
ALE-HEI-f28a35b5-9
0.329
AAR-POS-d2a4d1df-13
0.329
FRA-FAC-9ed5a63a-1
0.329
MAK-UNK-ca11b4f7-1
0.329
NIM-UNI-594fbbb6-1
0.327
NIM-UNI-bb610069-1
0.327
MAR-TRE-2fd8122f-4
0.327
MAK-UNK-009ebe36-3
0.326
CHR-SOS-f7373dd1-3
0.326
MAR-TRE-7f7bb9f0-33
0.326
KEI-TRE-d5e2018a-81
0.326
PET-SGC-d0156db4-1
0.326
KEI-TRE-d5e2018a-17
0.326
KEI-TRE-d5e2018a-99
0.326
DRE-WAB-ae4a693c-1
0.326
PET-SGC-b0f8bd49-1
0.326
IAN-BAS-df1706d7-1
0.326
BEN-DND-362d364a-12
0.326
MAR-TRE-2fd8122f-18
0.326
ADA-UNI-f8e79267-4
0.326
MAR-TRE-67513f76-32
0.326
DAR-DIA-842b4336-11
0.325
MAR-TRE-2fd8122f-27
0.325
MAK-UNK-51bb34f9-2
0.324
KEI-TRE-d5e2018a-15
0.323
ADA-UNI-f8e79267-11
0.323
WIL-UNI-5578df48-24
0.323
MAR-TRE-7f7bb9f0-18
0.323
KEI-TRE-d5e2018a-42
0.322
MAK-UNK-d1e89583-9
0.322
LON-WEI-120e5cf5-11
0.322
MED-UNK-e6e8ef8a-3
0.321
WAR-XCH-eb7b662f-5
0.321
WAR-XCH-eb7b662f-6
0.321
ALE-HEI-f28a35b5-16
0.321
ALE-HEI-f28a35b5-15
0.321
WIL-UNI-5578df48-2
0.321
MAR-TRE-67513f76-81
0.319
MAK-UNK-c749d764-9
0.319
MAR-TRE-b77b7921-74
0.319
SAD-SAT-689b7d5a-6
0.319
KEI-TRE-d5e2018a-27
0.319
MAR-TRE-7f7bb9f0-16
0.319
DAR-DIA-842b4336-9
0.318
CHR-SOS-f7373dd1-5
0.318
MAK-UNK-d1e89583-4
0.317
DAR-DIA-842b4336-1
0.316
MAR-TRE-74c6519b-79
0.316
ADA-UNI-f8e79267-10
0.316
KEI-TRE-d5e2018a-47
0.316
KEI-TRE-d5e2018a-80
0.316
THO-SYG-f9b2970d-2
0.316
WIL-UNI-5578df48-17
0.315
KEI-TRE-d5e2018a-25
0.315
KEI-TRE-d5e2018a-29
0.315
KEI-TRE-d5e2018a-69
0.315
KEI-TRE-d5e2018a-40
0.315
MAK-UNK-ca11b4f7-2
0.315