Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc2scc(CN3CCC(O)CC3)c2c1 |
MW: | 326.443 |
Fraction sp3: | 0.43 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 83.63 |
cLogP: | 1.5054 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
MAK-UNK-1cb0e944-3
0.381
MAK-UNK-5e88aa6a-5
0.381
MAK-UNK-5e88aa6a-10
0.378
MAK-UNK-1cb0e944-5
0.378
MAK-UNK-1cb0e944-6
0.366
MAK-UNK-5e88aa6a-8
0.366
MAR-UNI-9d4da90d-5
0.355
MAK-UNK-1cb0e944-12
0.353
MAK-UNK-1cb0e944-13
0.349
PET-SGC-908c18f3-1
0.345
AAR-POS-d2a4d1df-7
0.343
MAR-UNI-9d4da90d-6
0.342
MAK-UNK-5e88aa6a-7
0.337
MAK-UNK-1cb0e944-4
0.337
CES-WAB-18e74d70-2
0.333
PET-SGC-39d74636-1
0.329
MAK-UNK-acefcb18-25
0.325
MAK-UNK-31051d4e-1
0.315
CAM-STU-3ef21e73-1
0.312
MAK-UNK-31051d4e-3
0.312
HAR-NEW-e34cb1ae-6
0.303
MIH-UNI-e573136b-4
0.300
PET-SGC-481b48b7-2
0.299
MAK-UNK-31051d4e-2
0.298
JAN-UNI-2e92c4b1-3
0.298
PET-SGC-39d74636-2
0.298
MAK-UNK-1cb0e944-10
0.297
NAU-LAT-42d4957e-3
0.295
MAK-UNK-5e88aa6a-4
0.293
MAK-UNK-1cb0e944-2
0.293
SAM-UNK-2684b532-8
0.290
SEB-EST-28768d06-1
0.286
NIY-UNK-62612a68-6
0.279
DUN-NEW-f8ce3686-11
0.274
SAM-UNK-903735bd-1
0.274
MAK-UNK-1cb0e944-9
0.274
MAK-UNK-e4a48a85-3
0.274
SAM-UNK-2684b532-9
0.271
MAK-UNK-e4a48a85-6
0.270
MAK-UNK-e4a48a85-17
0.269
WAR-XCH-b72a1bbc-14
0.267
DAR-DIA-fb20be43-9
0.266
DAR-DIA-fb20be43-12
0.266
HAR-NEW-e34cb1ae-2
0.265
SAM-UNK-83e03154-1
0.265
SAD-SAT-f25ee457-4
0.263
TRY-UNI-9f475305-1
0.262
JAN-GHE-1d98ec1c-1
0.261
MAK-UNK-acefcb18-27
0.259
HEI-REL-0c990a45-4
0.258
WAR-XCH-b72a1bbc-32
0.258
MAK-UNK-e4a48a85-4
0.258
WAR-XCH-b72a1bbc-6
0.256
RED-RED-10c9212c-16
0.256
HAR-NEW-e34cb1ae-8
0.256
MAK-UNK-acefcb18-21
0.255
MAK-UNK-212f693e-15
0.253
WAR-XCH-b6889685-54
0.253
JAN-GHE-1d98ec1c-5
0.253
WAR-XCH-b6889685-3
0.253
NIM-UNI-363644a0-1
0.252
WAR-XCH-b6889685-6
0.250
MAK-UNK-acefcb18-22
0.250
ANT-OPE-47f3bb65-4
0.250
AND-UNI-23ac02e4-1
0.248
HEI-REL-0c990a45-1
0.247
WAR-XCH-b6889685-42
0.247
LIZ-THE-d3ff4653-2
0.247
SAD-SAT-cefd50cc-9
0.245
MAK-UNK-bae89c02-3
0.245
WAR-XCH-b72a1bbc-30
0.245
WAR-XCH-b6889685-14
0.245
WAR-XCH-b6889685-22
0.244
WAR-XCH-b72a1bbc-21
0.244
WAR-XCH-b72a1bbc-31
0.242
MAK-UNK-acefcb18-23
0.242
WAR-XCH-b6889685-13
0.242
NIM-UNI-02269248-3
0.242
WAR-XCH-b6889685-12
0.242
WAR-XCH-b6889685-33
0.241
SAD-SAT-5b1897b2-7
0.241
WAR-XCH-b72a1bbc-5
0.241
WAR-XCH-b72a1bbc-16
0.241
MAR-TRE-6a44bbf2-33
0.241
WAR-XCH-b6889685-53
0.241
ASH-UNK-40b46b30-8
0.240
MAK-UNK-69bf97dd-4
0.240
MAK-UNK-acefcb18-20
0.240
PED-UNI-89deb5c9-1
0.240
MIH-UNI-6b9ca91a-9
0.240
JOK-SYG-ac99ed27-1
0.240
WAR-XCH-b6889685-2
0.239
SEL-UNI-cd366922-7
0.239
WAR-XCH-b72a1bbc-20
0.238
MAK-UNK-1cb0e944-7
0.238
MAK-UNK-5e88aa6a-9
0.238
MAK-UNK-1cb0e944-11
0.238
MAK-UNK-e4a48a85-9
0.238
MAK-UNK-acefcb18-24
0.238
WAR-XCH-b6889685-1
0.237