Molecular Properties | |
SMILES: | NS(=O)(=O)NC1CCC(c2cc(CN3CCC(O)CC3)cs2)C1 |
MW: | 359.517 |
Fraction sp3: | 0.73 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 95.66 |
cLogP: | 1.134 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAK-UNK-31051d4e-2
0.378
MAK-UNK-5e88aa6a-4
0.368
MAK-UNK-1cb0e944-2
0.368
AAR-POS-d2a4d1df-7
0.352
TRY-UNI-1fd04853-4
0.349
MAK-UNK-5e88aa6a-8
0.341
MAK-UNK-1cb0e944-6
0.341
MAK-UNK-1cb0e944-12
0.330
MAK-UNK-1cb0e944-5
0.322
MAK-UNK-5e88aa6a-10
0.322
NIY-UNK-62612a68-6
0.321
MAK-UNK-1cb0e944-3
0.311
MAK-UNK-5e88aa6a-5
0.311
MAK-UNK-31051d4e-1
0.295
CES-WAB-18e74d70-2
0.294
MAK-UNK-acefcb18-27
0.284
MAK-UNK-31051d4e-3
0.278
MAK-UNK-1cb0e944-10
0.277
PET-SGC-39d74636-1
0.274
SAM-UNK-83e03154-1
0.273
MAK-UNK-acefcb18-26
0.272
MAR-UNI-9d4da90d-6
0.271
PET-SGC-908c18f3-1
0.266
MAR-UNI-9d4da90d-5
0.265
MAK-UNK-1cb0e944-11
0.262
PET-SGC-39d74636-2
0.261
JAN-UNI-2e92c4b1-3
0.261
CAM-STU-3ef21e73-1
0.259
MAK-UNK-1cb0e944-4
0.257
MAK-UNK-5e88aa6a-7
0.257
MAK-UNK-acefcb18-25
0.256
SAM-UNK-903735bd-1
0.255
MAK-UNK-acefcb18-28
0.253
MAK-UNK-e4a48a85-17
0.252
MAK-UNK-1cb0e944-7
0.247
MAK-UNK-5e88aa6a-9
0.247
MAK-UNK-212f693e-15
0.247
MAK-UNK-5e88aa6a-12
0.246
DUN-NEW-f8ce3686-11
0.242
MAK-UNK-e4a48a85-11
0.239
MAK-UNK-e4a48a85-6
0.237
MAK-UNK-acefcb18-20
0.235
SAM-UNK-2684b532-8
0.232
MAR-TRE-a9136c7b-89
0.232
MAK-UNK-e4a48a85-4
0.228
SAM-UNK-2684b532-9
0.228
MAK-UNK-e4a48a85-18
0.226
SAD-SAT-7d5528d9-6
0.225
JAN-GHE-1d98ec1c-3
0.223
HAR-NEW-e34cb1ae-8
0.223
MAK-UNK-5e88aa6a-3
0.223
HAR-NEW-e34cb1ae-2
0.223
MAK-UNK-31051d4e-5
0.223
JAN-GHE-1d98ec1c-2
0.222
MAK-UNK-5e88aa6a-6
0.222
SAD-SAT-7d5528d9-21
0.222
MAK-UNK-1cb0e944-1
0.222
SAD-SAT-f25ee457-4
0.221
MAK-UNK-acefcb18-24
0.221
MAK-UNK-e4a48a85-7
0.221
GIA-UNK-595fac82-5
0.221
MAK-UNK-31051d4e-4
0.220
MAK-UNK-acefcb18-22
0.220
SEB-EST-28768d06-1
0.219
MAR-TRE-799db12b-52
0.219
MAK-UNK-e4a48a85-9
0.218
MAK-UNK-1cb0e944-9
0.218
MAK-UNK-009ebe36-10
0.218
JAN-GHE-1d98ec1c-8
0.217
MAK-UNK-e4a48a85-19
0.216
WAR-XCH-b6889685-46
0.215
JAN-GHE-1d98ec1c-1
0.215
AHN-SAT-02ef6d10-2
0.213
JAR-KUA-41bd5a3d-9
0.213
HEI-REL-0c990a45-5
0.212
UNK-UNK-2ede4078-98
0.212
ASH-UNK-40b46b30-8
0.212
SAD-SAT-1f400d17-8
0.211
TRY-UNI-9f475305-1
0.211
JAN-GHE-1d98ec1c-4
0.211
JAN-GHE-fd8d85a5-8
0.211
MIH-UNI-6b9ca91a-9
0.210
GIA-UNK-5ec6c2b8-3
0.210
WIL-LEE-23e8b574-4
0.209
SAD-SAT-581007d4-3
0.209
SAD-SAT-581007d4-4
0.209
NAU-LAT-42d4957e-3
0.208
MAR-TRE-fd17a9b8-15
0.207
MAK-UNK-e4a48a85-3
0.206
JOR-UNI-2fc98d0b-13
0.206
MAK-UNK-af83ef51-16
0.205
MAK-UNK-1cb0e944-8
0.204
HAR-NEW-e34cb1ae-6
0.204
WAR-XCH-b72a1bbc-32
0.204
MAK-UNK-acefcb18-21
0.204
MAK-UNK-e4a48a85-5
0.204
MAK-UNK-acefcb18-31
0.202
MAK-UNK-acefcb18-23
0.202
WAR-XCH-b6889685-12
0.200
MAK-UNK-a7992eb3-14
0.200