Molecular Properties | |
SMILES: | NS(=O)(=O)CSCCc1cscc1CN1CCC(O)CC1 |
MW: | 350.531 |
Fraction sp3: | 0.69 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 83.63 |
cLogP: | 1.2265 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Dithiomethylene_acetal
MAK-UNK-5e88aa6a-10
1.000
MAK-UNK-1cb0e944-6
0.609
MAK-UNK-5e88aa6a-8
0.609
MAK-UNK-1cb0e944-12
0.425
MAK-UNK-1cb0e944-3
0.420
MAK-UNK-5e88aa6a-5
0.420
TRY-UNI-1fd04853-4
0.378
MAK-UNK-31051d4e-3
0.360
MAK-UNK-1cb0e944-4
0.340
MAK-UNK-5e88aa6a-7
0.340
MAK-UNK-31051d4e-1
0.333
AAR-POS-d2a4d1df-7
0.329
MAK-UNK-1cb0e944-13
0.322
CES-WAB-18e74d70-2
0.321
PET-SGC-39d74636-1
0.316
MAR-UNI-9d4da90d-5
0.308
MAR-UNI-9d4da90d-6
0.296
MAK-UNK-acefcb18-25
0.296
MAK-UNK-1cb0e944-10
0.286
CAM-STU-3ef21e73-1
0.284
MAK-UNK-31051d4e-2
0.274
MAK-UNK-1cb0e944-11
0.272
PET-SGC-39d74636-2
0.271
JAN-UNI-2e92c4b1-3
0.271
MAK-UNK-1cb0e944-2
0.270
MAK-UNK-5e88aa6a-4
0.270
SAM-UNK-903735bd-1
0.263
DUN-NEW-f8ce3686-11
0.263
MAK-UNK-1cb0e944-7
0.256
MAK-UNK-5e88aa6a-9
0.256
SAM-UNK-2684b532-8
0.253
SAD-SAT-f25ee457-4
0.253
MAK-UNK-e4a48a85-3
0.250
SAM-UNK-2684b532-9
0.247
PET-SGC-908c18f3-1
0.247
MAK-UNK-acefcb18-27
0.247
SAM-UNK-83e03154-1
0.242
TRY-UNI-9f475305-1
0.240
MAK-UNK-acefcb18-24
0.240
MAK-UNK-acefcb18-22
0.240
SEB-EST-28768d06-1
0.238
MAK-UNK-e4a48a85-17
0.236
MAK-UNK-acefcb18-23
0.232
MAK-UNK-5e88aa6a-6
0.230
MAK-UNK-1cb0e944-1
0.230
MAK-UNK-e4a48a85-7
0.228
MAK-UNK-31051d4e-4
0.227
NIY-UNK-62612a68-6
0.226
MAK-UNK-1cb0e944-9
0.224
SAD-SAT-bc31ec01-1
0.222
MAK-UNK-5e88aa6a-12
0.221
WAR-XCH-b6889685-12
0.219
MAK-UNK-10dfa458-7
0.219
MAK-UNK-acefcb18-20
0.218
MAK-UNK-31051d4e-5
0.218
HAR-NEW-e34cb1ae-2
0.218
MAK-UNK-e4a48a85-6
0.217
MAK-UNK-e4a48a85-26
0.216
NAU-LAT-42d4957e-3
0.215
STU-CHA-464c0256-1
0.214
WAR-XCH-b72a1bbc-16
0.214
MAK-UNK-e4a48a85-9
0.212
JOR-UNI-2fc98d0b-13
0.212
MIH-UNI-e573136b-5
0.211
MAK-UNK-acefcb18-28
0.210
MAK-UNK-10dfa458-38
0.210
MAK-UNK-e4a48a85-4
0.210
MAK-UNK-212f693e-15
0.210
MAK-UNK-acefcb18-21
0.210
WAR-XCH-b72a1bbc-37
0.209
WAR-XCH-b72a1bbc-29
0.208
MAK-UNK-acefcb18-26
0.208
DAV-CRI-de95a6f4-1
0.206
WAR-XCH-b6889685-13
0.206
WAR-XCH-b72a1bbc-14
0.205
HAR-NEW-e34cb1ae-8
0.204
JOR-UNI-2fc98d0b-3
0.204
WIL-LEE-23e8b574-4
0.202
JAN-GHE-1d98ec1c-2
0.202
RED-RED-10c9212c-16
0.202
WAR-XCH-b6889685-10
0.202
MAR-TRE-799db12b-89
0.202
WAR-XCH-b72a1bbc-39
0.200
MAK-UNK-e4a48a85-18
0.198
HAR-NEW-e34cb1ae-6
0.198
WAR-XCH-b72a1bbc-20
0.198
MAK-UNK-e4a48a85-12
0.198
DOU-UNK-b5326f8f-19
0.196
WAR-XCH-b6889685-14
0.196
WAR-XCH-b6889685-19
0.196
WAR-XCH-b72a1bbc-19
0.195
MAT-POS-162a9720-8
0.195
MAK-UNK-e4a48a85-16
0.195
WAR-XCH-b6889685-54
0.195
MAK-UNK-31051d4e-6
0.194
MAK-UNK-5e88aa6a-3
0.194
MAK-UNK-e4a48a85-11
0.194
WAR-XCH-b6889685-44
0.194
MAK-UNK-e4a48a85-14
0.193
JOR-UNI-61e7b1d5-24
0.193