Molecular Properties | |
SMILES: | N#Cc1cc(NC(=O)CCl)cc(C(=O)N2CCSCC2)c1 |
MW: | 323.05 |
Fraction sp3: | 0.36 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 73.2 |
cLogP: | 1.92 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-987948f6-6
0.592
AAR-POS-d2a4d1df-38
0.529
ASH-SAT-43770c7d-1
0.403
JOO-IND-6372a4f3-2
0.362
IND-SYN-6c8299e8-9
0.362
JOO-IND-6372a4f3-1
0.359
JOO-IND-6372a4f3-3
0.358
NIR-THE-ed286faa-1
0.330
TAM-UNI-d1c3dd9f-16
0.321
ASH-UNK-7e8c50a4-1
0.321
NIR-THE-ed286faa-2
0.315
MAK-UNK-987948f6-3
0.307
MAK-UNK-72659d64-3
0.304
JOO-IND-9269dfbd-1
0.300
MAK-UNK-849bee6c-24
0.293
MAR-TRE-6a44bbf2-88
0.290
MAR-TRE-6a44bbf2-89
0.286
SWA-SYN-d2e6fa14-10
0.280
SWA-SYN-6423ea73-9
0.280
IND-SYN-6c8299e8-8
0.280
AHN-SAT-de2502ba-6
0.280
MAR-TRE-6a44bbf2-43
0.280
JOO-IND-9269dfbd-2
0.279
SAD-SAT-edc8a235-3
0.275
AHN-SAT-de2502ba-5
0.274
TRY-UNI-bbd40bb4-1
0.272
MAK-UNK-72659d64-10
0.271
SAD-SAT-6b5a89f0-10
0.269
MAK-UNK-7a704a63-10
0.268
LON-WEI-8f408cad-1
0.268
AAR-POS-0daf6b7e-11
0.268
MAK-UNK-f983951f-23
0.264
WAR-XCH-eb7b662f-2
0.262
MAK-UNK-4b073b5c-17
0.262
NIR-THE-0d6461ce-6
0.261
YOI-UNK-4c10088f-1
0.260
BRU-LEF-ae0885ba-1
0.258
TAT-ENA-80bfd3e5-10
0.258
PAU-UNI-52c0427f-1
0.258
DAR-DIA-fb20be43-4
0.258
MAR-TRE-6a44bbf2-42
0.258
SAD-SAT-6b5a89f0-8
0.258
MAK-UNK-6ca90168-14
0.256
DRR-IMP-38dce17f-7
0.256
AHN-SAT-de2502ba-4
0.256
MAR-TRE-6a44bbf2-100
0.256
MAK-UNK-1e8f9e3c-3
0.255
MAK-UNK-ca11b4f7-1
0.254
SAD-SAT-581007d4-5
0.253
AHN-SAT-de2502ba-19
0.253
MAR-TRE-6a44bbf2-83
0.253
AHN-SAT-de2502ba-13
0.253
SAD-SAT-89668ff1-2
0.253
MAK-UNK-10dfa458-44
0.250
TRY-UNI-bbd40bb4-2
0.250
NIM-UNI-310206f0-21
0.250
WAR-XCH-bdd24732-3
0.250
ERI-UCB-ce40166b-10
0.248
DAN-MCD-02570321-1
0.248
DAV-CRI-d1e0885a-6
0.247
AHN-SAT-de2502ba-17
0.247
AHN-SAT-de2502ba-18
0.247
PRO-INS-c91ddbbd-1
0.247
MAK-UNK-6ca90168-29
0.247
MAR-TRE-6a44bbf2-74
0.247
MAK-UNK-72659d64-17
0.247
BEN-DND-61647d40-1
0.245
JAN-GHE-fd8d85a5-7
0.244
DRR-IMP-dff87f5e-9
0.244
ERI-UCB-ce40166b-9
0.243
SAD-SAT-6b5a89f0-1
0.243
MAK-UNK-1e8f9e3c-5
0.242
TAM-UNI-d1c3dd9f-18
0.242
TAM-UNI-d1c3dd9f-17
0.242
MAR-TRE-6a44bbf2-10
0.242
VIK-SYN-9a3d118a-8
0.241
MAK-UNK-10dfa458-40
0.241
MAR-TRE-6a44bbf2-17
0.241
MAK-UNK-72659d64-12
0.240
SAD-SAT-89668ff1-9
0.239
SWA-SYN-6423ea73-7
0.238
SWA-SYN-d2e6fa14-7
0.238
ABI-SAT-4d06482b-5
0.238
MAK-UNK-849bee6c-25
0.238
SAD-SAT-581007d4-6
0.238
MAK-UNK-72659d64-1
0.237
SAD-SAT-6b5a89f0-3
0.236
MAT-POS-ee51dedd-1
0.235
MAR-TRE-0fda4e82-11
0.235
DAV-CRI-d1e0885a-1
0.235
MAR-TRE-6a44bbf2-55
0.235
MAK-UNK-6ca90168-20
0.234
WAR-XCH-bdd24732-24
0.233
MAK-UNK-849bee6c-1
0.233
MAK-UNK-10dfa458-43
0.233
AAR-POS-d2a4d1df-37
0.233
MAR-TRE-6a44bbf2-7
0.233
MAK-UNK-6ca90168-18
0.232
MAR-TRE-1c920f6f-26
0.232
MAR-TRE-6c5ef77a-27
0.232