Molecular Properties | |
SMILES: | O=C(N=S)N1CCC(Oc2ccsc2)CC1 |
MW: | 256.03 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 41.9 |
cLogP: | 2.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Double acyclic N=N and N=S bonds
Filter90_N_double_bond_S
S=N_(not_ring)
LON-WEI-8f408cad-3
MAK-UNK-212f693e-29
0.750
MAK-UNK-212f693e-23
0.686
MAK-UNK-212f693e-2
0.673
MAK-UNK-212f693e-21
0.673
MAK-UNK-212f693e-27
0.655
MAK-UNK-212f693e-24
0.648
MAK-UNK-212f693e-18
0.636
MAK-UNK-212f693e-31
0.625
MAK-UNK-212f693e-25
0.625
MAK-UNK-212f693e-30
0.625
MAK-UNK-212f693e-10
0.614
MAK-UNK-212f693e-22
0.614
MAK-UNK-212f693e-26
0.583
MAK-UNK-212f693e-4
0.453
MAK-UNK-212f693e-12
0.426
MAK-UNK-212f693e-3
0.415
MAK-UNK-212f693e-11
0.397
MAK-UNK-212f693e-1
0.328
MAK-UNK-212f693e-9
0.304
MAK-UNK-212f693e-14
0.303
MAK-UNK-212f693e-19
0.300
MAK-UNK-212f693e-20
0.294
MAK-UNK-212f693e-16
0.288
MAK-UNK-212f693e-35
0.286
MAK-UNK-212f693e-33
0.282
MAK-UNK-212f693e-13
0.278
AHN-SAT-02ef6d10-9
0.271
AHN-SAT-02ef6d10-4
0.269
MAK-UNK-212f693e-34
0.268
MAK-UNK-6ca90168-19
0.266
MAK-UNK-212f693e-32
0.264
MAK-UNK-10dfa458-1
0.257
MAK-UNK-212f693e-15
0.257
MAK-UNK-a7992eb3-16
0.256
MAK-UNK-10dfa458-18
0.254
WAR-XCH-b6889685-19
0.250
MAK-UNK-a7992eb3-11
0.248
MAK-UNK-6ca90168-20
0.246
SAD-SAT-2fd372d1-4
0.246
MAK-UNK-6ca90168-22
0.244
GIA-UNK-595fac82-2
0.243
GIA-UNK-595fac82-3
0.240
MAK-UNK-a7992eb3-1
0.240
AAR-POS-d2a4d1df-14
0.235
MAK-UNK-6435e6c2-3
0.235
MAK-UNK-6435e6c2-10
0.235
MAK-UNK-6435e6c2-11
0.235
MAK-UNK-4c6b313a-1
0.235
GIA-UNK-5ec6c2b8-1
0.235
MAK-UNK-212f693e-5
0.235
LIZ-THE-f118233e-1
0.235
MAK-UNK-acefcb18-12
0.234
MAK-UNK-a7992eb3-15
0.234
MAK-UNK-212f693e-6
0.232
MAK-UNK-acefcb18-31
0.231
LON-WEI-120e5cf5-14
0.230
MAK-UNK-a7992eb3-14
0.227
JOO-IND-b13e14cc-1
0.226
MAK-UNK-212f693e-7
0.225
DRA-CSI-47e38074-13
0.225
MAK-UNK-212f693e-8
0.222
MAR-TRE-6a44bbf2-53
0.222
SAD-SAT-bc31ec01-9
0.222
MAK-UNK-7c9d1431-25
0.222
LON-WEI-8f408cad-7
0.222
AAR-POS-0daf6b7e-13
0.222
DAN-MCD-0c04f563-1
0.221
BEN-VAN-d8fd1356-25
0.221
SAD-SAT-f0a2747f-10
0.221
AAR-POS-d2a4d1df-7
0.221
MAK-UNK-ed378e62-31
0.221
ANT-DIA-045cfdc4-1
0.219
MAK-UNK-10dfa458-20
0.219
MAK-UNK-6ca90168-2
0.218
MAK-UNK-10dfa458-46
0.216
MAT-POS-ee51dedd-2
0.216
MAK-UNK-e4a48a85-24
0.215
DAN-MCD-7eba3d41-1
0.213
SAD-SAT-f0a2747f-2
0.212
MAK-UNK-a7992eb3-12
0.212
MED-UNK-28939ac5-1
0.211
MAK-UNK-6ca90168-21
0.211
MAK-UNK-212f693e-17
0.211
JOH-UNI-27ac80fd-26
0.211
JAG-SYN-9c2cd0bd-3
0.211
DAN-MCD-93e7aadc-1
0.208
MAK-UNK-987948f6-15
0.208
GIA-UNK-eaadd1d4-1
0.208
LIZ-THE-60ec5b32-1
0.208
ANT-DIA-045cfdc4-4
0.207
DAN-MCD-9cdc9f7f-1
0.206
DAN-MCD-0fb4364c-1
0.206
DAN-MCD-f396e45b-1
0.206
MAK-UNK-902cc841-13
0.206
GIA-UNK-5ec6c2b8-5
0.205
MAK-UNK-10dfa458-10
0.205
DRA-CSI-47e38074-4
0.205
ANT-DIA-045cfdc4-2
0.205
JOO-IND-b13e14cc-3
0.205
MAK-UNK-7264f48c-1
0.205