Molecular Properties | |
SMILES: | CN(Cc1csc(S(N)(=O)=O)n1)C(=O)NCN1CCC(O)CC1 |
MW: | 363.465 |
Fraction sp3: | 0.67 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 128.86 |
cLogP: | -0.653899999999999 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_CH2O_acetal
acyclic N-C-N
MAK-UNK-e4a48a85-17
0.369
MAK-UNK-5e88aa6a-9
0.350
MAK-UNK-1cb0e944-7
0.350
MAK-UNK-be3f299e-1
0.342
MAK-UNK-5e88aa6a-8
0.318
MAK-UNK-1cb0e944-6
0.318
TRY-UNI-1fd04853-4
0.297
ALE-UNK-fca05062-9
0.295
MAK-UNK-1cb0e944-12
0.293
MAK-UNK-5e88aa6a-5
0.290
MAK-UNK-1cb0e944-3
0.290
CES-WAB-18e74d70-2
0.287
MAK-UNK-5e88aa6a-10
0.286
MAK-UNK-1cb0e944-5
0.286
PET-SGC-39d74636-1
0.282
MAK-UNK-1cb0e944-2
0.282
MAK-UNK-5e88aa6a-4
0.282
MAK-UNK-1cb0e944-13
0.277
MAK-UNK-1cb0e944-1
0.273
MAK-UNK-5e88aa6a-6
0.273
MAK-UNK-e4a48a85-14
0.268
HAR-NEW-e34cb1ae-2
0.267
MAK-UNK-1cb0e944-4
0.264
MAK-UNK-5e88aa6a-7
0.264
HAR-NEW-e34cb1ae-8
0.258
ASH-UNK-40b46b30-8
0.255
HAR-NEW-e34cb1ae-6
0.250
PET-SGC-908c18f3-1
0.247
MAK-UNK-acefcb18-21
0.245
MAK-UNK-e4a48a85-18
0.245
MAK-UNK-5e88aa6a-3
0.243
AAR-POS-d2a4d1df-7
0.241
JOR-UNI-2fc98d0b-3
0.240
SIM-SYN-3099a863-1
0.240
SAM-UNK-2684b532-8
0.240
MAK-UNK-acefcb18-22
0.240
SAM-UNK-903735bd-1
0.238
MAK-UNK-31051d4e-2
0.235
AAR-POS-d2a4d1df-9
0.235
DAR-DIA-37454fd7-1
0.235
MAK-UNK-e4a48a85-6
0.232
JOR-UNI-61e7b1d5-5
0.231
MAK-UNK-acefcb18-20
0.231
RIC-ARG-a8e88843-1
0.230
MAR-UNI-9d4da90d-5
0.230
JAN-GHE-1d98ec1c-5
0.229
SAD-SAT-f25ee457-4
0.229
JAN-UNI-2e92c4b1-3
0.228
PET-SGC-39d74636-2
0.228
JOR-UNI-61e7b1d5-6
0.228
RAF-SAT-b3ff87a1-1
0.227
MAK-UNK-1cb0e944-11
0.227
WIL-LEE-23e8b574-7
0.227
MAK-UNK-e4a48a85-9
0.227
MAK-UNK-31051d4e-1
0.225
MAK-UNK-1cb0e944-9
0.225
DUN-NEW-f8ce3686-11
0.225
PET-SGC-210d4c30-1
0.225
CAM-STU-3ef21e73-1
0.225
DOU-UNK-b5326f8f-18
0.224
JOR-UNI-2fc98d0b-13
0.224
SAM-UNK-2684b532-10
0.223
BEN-DND-362d364a-11
0.223
SAM-UNK-2684b532-9
0.223
MAK-UNK-31051d4e-3
0.223
MAK-UNK-5e88aa6a-12
0.222
MAK-UNK-acefcb18-23
0.221
JAR-KUA-41bd5a3d-9
0.221
ISA-SCH-8e98219b-3
0.220
LIZ-THE-d3ff4653-2
0.220
IFT-SAT-023cfffe-1
0.219
MAK-UNK-acefcb18-24
0.217
NIY-UNK-62612a68-6
0.217
BEN-DND-6de5dfa0-15
0.216
WAR-XCH-b6889685-3
0.216
NAU-LAT-42d4957e-3
0.216
JOR-UNI-61e7b1d5-24
0.216
SAD-SAT-5b1897b2-2
0.216
MAR-TRE-fd17a9b8-6
0.216
PET-SGC-a8a902d9-1
0.215
SEB-EST-28768d06-1
0.215
WAR-XCH-b6889685-6
0.214
TRY-UNI-9f475305-2
0.214
MAK-UNK-e4a48a85-12
0.213
WAR-XCH-b6889685-64
0.213
JOR-UNI-61e7b1d5-25
0.212
WAR-XCH-b6889685-54
0.212
SIM-SYN-7db9eb24-2
0.212
MAK-UNK-e4a48a85-5
0.211
JAN-GHE-1d98ec1c-1
0.211
IFT-SAT-023cfffe-4
0.211
SIM-SYN-3099a863-2
0.210
DOU-UNK-b5326f8f-19
0.210
BEN-DND-6de5dfa0-26
0.209
MAK-UNK-acefcb18-25
0.209
MAR-UNI-9d4da90d-6
0.209
SAM-UNK-83e03154-1
0.208
TRY-UNI-9f475305-1
0.207
JAN-GHE-1d98ec1c-3
0.206
JAN-GHE-1d98ec1c-4
0.206