Molecular Properties | |
SMILES: | CC(=O)N1CCN(Nc2ccsc2)CC1 |
MW: | 225.09 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 35.58 |
cLogP: | 1.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
hydrazine
Singel acyclic N-N bonds
Filter20_hydrazine
acyclic N-,=N and not N bound to carbonyl or sulfone
Hetero_hetero
LON-WEI-8f408cad-3
MAK-UNK-212f693e-14
0.472
MAK-UNK-6ca90168-19
0.431
MAK-UNK-6435e6c2-10
0.407
MAK-UNK-6435e6c2-11
0.407
MAK-UNK-6435e6c2-3
0.407
MAK-UNK-4c6b313a-1
0.407
MAK-UNK-212f693e-20
0.404
MAK-UNK-212f693e-1
0.400
MAK-UNK-212f693e-19
0.383
MAK-UNK-212f693e-33
0.361
MAK-UNK-212f693e-13
0.355
MAK-UNK-212f693e-16
0.351
MAK-UNK-e4a48a85-2
0.347
MAK-UNK-212f693e-2
0.339
SAD-SAT-6b5a89f0-10
0.333
MAK-UNK-e4a48a85-1
0.333
MAK-UNK-902cc841-17
0.316
MAK-UNK-902cc841-18
0.316
MAK-UNK-212f693e-3
0.312
SAD-SAT-bc31ec01-9
0.311
MAK-UNK-6435e6c2-2
0.305
MAK-UNK-902cc841-14
0.305
MAK-UNK-6435e6c2-1
0.300
DAR-DIA-842b4336-1
0.295
MAK-UNK-212f693e-7
0.295
ISA-SCH-8e98219b-3
0.294
MAK-UNK-212f693e-15
0.290
MAK-UNK-10dfa458-18
0.286
MAK-UNK-212f693e-6
0.283
MAK-UNK-902cc841-4
0.282
MAK-UNK-902cc841-13
0.282
MAK-UNK-902cc841-2
0.282
MAT-POS-ee51dedd-2
0.281
MAK-UNK-10dfa458-46
0.281
MAK-UNK-212f693e-35
0.281
MAK-UNK-6ca90168-20
0.279
SAD-SAT-2fd372d1-4
0.279
MAK-UNK-acefcb18-13
0.278
MAK-UNK-902cc841-1
0.275
WIL-LEE-23e8b574-1
0.274
MAK-UNK-7264f48c-1
0.273
WAR-XCH-b6889685-31
0.271
MAK-UNK-ed378e62-35
0.271
MAK-UNK-212f693e-8
0.270
MAK-UNK-10dfa458-1
0.270
JON-UIO-066ce08b-3
0.270
JOH-UNI-27ac80fd-31
0.270
AAR-POS-0daf6b7e-13
0.270
LON-WEI-8f408cad-7
0.270
MAK-UNK-212f693e-4
0.269
JON-UNI-bb9dc649-4
0.269
ISA-SCH-8e98219b-2
0.269
BEN-DND-6de5dfa0-23
0.269
MAK-UNK-7264f48c-6
0.268
MAK-UNK-acefcb18-12
0.268
MAK-UNK-902cc841-6
0.267
MAK-UNK-7264f48c-5
0.266
JON-UIO-066ce08b-1
0.266
MAK-UNK-10dfa458-20
0.266
MAK-UNK-212f693e-24
0.266
MAK-UNK-902cc841-10
0.265
KIM-UNI-7d12df64-3
0.265
MAK-UNK-902cc841-8
0.262
MAK-UNK-212f693e-9
0.262
MAK-UNK-212f693e-18
0.262
MAK-UNK-212f693e-34
0.262
BEN-DND-6de5dfa0-22
0.261
BEN-DND-6de5dfa0-26
0.261
MAK-UNK-acefcb18-6
0.260
AAR-POS-0daf6b7e-21
0.260
MAK-UNK-902cc841-16
0.260
MAK-UNK-7264f48c-2
0.259
MAK-UNK-6435e6c2-6
0.258
MAK-UNK-212f693e-17
0.258
MAK-UNK-212f693e-23
0.258
MAK-UNK-212f693e-32
0.258
WIL-LEE-23e8b574-2
0.258
MAK-UNK-212f693e-27
0.258
MAK-UNK-212f693e-29
0.258
BEN-DND-6de5dfa0-18
0.257
EDJ-MED-3c65e9ce-1
0.257
BEN-DND-6de5dfa0-10
0.257
BEN-DND-93268d01-8
0.257
MAK-UNK-7264f48c-4
0.256
KIM-UNI-2ee5d8f9-1
0.254
MAK-UNK-212f693e-21
0.254
MAK-UNK-212f693e-22
0.254
KIM-UNI-7d12df64-1
0.254
BEN-DND-6de5dfa0-19
0.254
EDJ-MED-3c65e9ce-2
0.253
LAU-FAC-e2c8b4ad-1
0.253
MAK-UNK-902cc841-15
0.253
MAK-UNK-902cc841-12
0.253
BEN-DND-6de5dfa0-17
0.250
MAK-UNK-7264f48c-3
0.250
WIL-LEE-23e8b574-7
0.250
MAK-UNK-6435e6c2-5
0.250
JON-UIO-066ce08b-4
0.246
AHN-SAT-02ef6d10-9
0.246
JON-UNI-bb9dc649-16
0.246