Molecular Properties | |
SMILES: | CC(=O)N1CCN(C(C(=O)N2CCN(Cc3ccsc3)CC2)c2cccs2)CC1 |
MW: | 432.615 |
Fraction sp3: | 0.52 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 47.1 |
cLogP: | 2.3592 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
MAK-UNK-6435e6c2-3
0.587
MAK-UNK-902cc841-1
0.518
MAK-UNK-902cc841-9
0.494
MAK-UNK-902cc841-7
0.488
MAK-UNK-212f693e-7
0.471
MAK-UNK-212f693e-6
0.464
AAR-POS-0daf6b7e-13
0.444
MAK-UNK-10dfa458-1
0.444
MAK-UNK-212f693e-8
0.444
LON-WEI-8f408cad-7
0.444
MAK-UNK-10dfa458-20
0.438
MAK-UNK-212f693e-15
0.425
MAK-UNK-6435e6c2-2
0.384
MAK-UNK-902cc841-15
0.382
MAK-UNK-902cc841-10
0.358
AAR-POS-d2a4d1df-7
0.356
MAK-UNK-902cc841-8
0.354
MAK-UNK-902cc841-5
0.347
MAK-UNK-212f693e-16
0.347
MAK-UNK-902cc841-3
0.340
MAK-UNK-902cc841-16
0.330
JAR-KUA-41bd5a3d-15
0.330
MAK-UNK-a7992eb3-14
0.324
MAK-UNK-902cc841-17
0.319
MAK-UNK-b1d4dcd7-6
0.313
MAK-UNK-009ebe36-10
0.312
MAK-UNK-6ca90168-19
0.311
MAK-UNK-b1d4dcd7-7
0.307
MAK-UNK-a7992eb3-15
0.306
KIM-UNI-2ee5d8f9-1
0.304
MAK-UNK-a7992eb3-11
0.303
PAT-UNK-b2d83456-1
0.301
MAK-UNK-af83ef51-10
0.297
MAK-UNK-a7992eb3-16
0.295
MAK-UNK-212f693e-1
0.295
PAT-UNK-b2d83456-2
0.294
MAK-UNK-acefcb18-31
0.293
MAK-UNK-212f693e-34
0.293
MAK-UNK-212f693e-35
0.293
MAK-UNK-902cc841-18
0.292
MAK-UNK-902cc841-4
0.291
MAK-UNK-6435e6c2-1
0.291
BEN-VAN-c986b20b-16
0.290
BEN-VAN-c986b20b-2
0.290
WIL-LEE-23e8b574-2
0.289
WIL-LEE-23e8b574-4
0.289
MAT-POS-ea426761-45
0.289
LON-WEI-5e7d1b3e-25
0.289
LON-WEI-4d77710c-25
0.289
JON-UIO-066ce08b-11
0.287
JOH-UNI-0e1753c1-1
0.287
JON-UIO-066ce08b-9
0.287
PAT-UNK-b2d83456-3
0.287
MAK-UNK-e4a48a85-2
0.287
MAK-UNK-e4a48a85-16
0.286
MAK-UNK-a7992eb3-1
0.284
MAK-UNK-e4a48a85-20
0.284
WIL-LEE-23e8b574-3
0.284
JAN-GHE-1d98ec1c-2
0.284
MAK-UNK-e4a48a85-22
0.283
MAK-UNK-a7992eb3-17
0.283
WIL-LEE-23e8b574-5
0.282
MAK-UNK-212f693e-5
0.282
MAK-UNK-4c6b313a-1
0.282
MAK-UNK-6435e6c2-11
0.282
MAK-UNK-6435e6c2-10
0.282
MAK-UNK-e4a48a85-21
0.281
LON-WEI-8f408cad-5
0.280
MAK-UNK-10dfa458-2
0.280
AAR-POS-0daf6b7e-17
0.280
MAK-UNK-902cc841-12
0.280
KIM-UNI-7d12df64-3
0.279
MAK-UNK-902cc841-6
0.279
JAN-GHE-1d98ec1c-8
0.278
MAK-UNK-a7992eb3-13
0.277
MAK-UNK-10dfa458-21
0.277
BEN-VAN-c986b20b-10
0.277
BEN-VAN-c986b20b-17
0.277
MAK-UNK-e4a48a85-25
0.276
MAK-UNK-212f693e-17
0.275
JON-UIO-066ce08b-16
0.275
MAK-UNK-902cc841-11
0.275
MAK-UNK-212f693e-32
0.274
BEN-VAN-c986b20b-1
0.274
JAR-KUA-8c13982c-7
0.272
BEN-VAN-c986b20b-4
0.268
MAK-UNK-31051d4e-6
0.265
BEN-VAN-c986b20b-3
0.263
NAU-LAT-64f4b287-3
0.263
JAN-GHE-1d98ec1c-1
0.261
MAK-UNK-902cc841-14
0.260
MAK-UNK-212f693e-14
0.259
ISA-SCH-8e98219b-3
0.258
JOH-UNI-23d9e1b1-1
0.256
MAK-UNK-acefcb18-30
0.256
KIM-UNI-7d12df64-1
0.256
JAN-GHE-1d98ec1c-3
0.255
JAN-GHE-1d98ec1c-4
0.255
NAU-LAT-a5c7d7cb-3
0.255
VLA-UCB-05e51b3f-2
0.255