Molecular Properties | |
SMILES: | Cc1cccc(CN2CCN(C(=O)c3ccc(C#Cc4ccc(C5CCN(Cc6ccsc6)CC5)nc4)cc3)CC2)c1 |
MW: | 574.794 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 39.68 |
cLogP: | 6.18892000000001 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
triple bond
MAK-UNK-e4a48a85-15
0.399
AAR-POS-d2a4d1df-24
0.360
MAK-UNK-6435e6c2-3
0.344
MAK-UNK-212f693e-15
0.343
MAK-UNK-212f693e-6
0.340
JOO-PER-74f994a9-1
0.340
MAK-UNK-af83ef51-10
0.336
MAK-UNK-212f693e-7
0.333
AAR-POS-d2a4d1df-7
0.333
MAK-UNK-212f693e-8
0.330
AAR-POS-0daf6b7e-13
0.330
LON-WEI-8f408cad-7
0.330
MAK-UNK-10dfa458-20
0.327
MAK-UNK-e4a48a85-17
0.326
MAK-UNK-10dfa458-1
0.317
MAK-UNK-a7992eb3-16
0.312
MAK-UNK-e4a48a85-8
0.311
MAK-UNK-009ebe36-10
0.303
MAK-UNK-a7992eb3-10
0.293
MAK-UNK-af83ef51-11
0.290
PAT-UNK-b2d83456-2
0.287
MAK-UNK-acefcb18-31
0.287
MAK-UNK-acefcb18-29
0.286
MAK-UNK-902cc841-2
0.286
DAV-SYG-f22c749d-3
0.283
MAK-UNK-849bee6c-14
0.281
PAT-UNK-b2d83456-1
0.280
MAK-UNK-a7992eb3-1
0.280
MAK-UNK-a7992eb3-17
0.279
MAK-UNK-e4a48a85-21
0.277
MAK-UNK-849bee6c-16
0.276
MAK-UNK-e4a48a85-18
0.276
MAK-UNK-31051d4e-6
0.274
MAK-UNK-849bee6c-6
0.274
MAK-UNK-acefcb18-30
0.273
MAK-UNK-a7992eb3-15
0.273
MAT-POS-ee51dedd-1
0.270
ERI-UCB-a0b0dbcb-14
0.270
RED-RED-10c9212c-24
0.270
JAR-KUA-41bd5a3d-15
0.270
MAK-UNK-849bee6c-7
0.269
MAK-UNK-e4a48a85-20
0.269
MAK-UNK-e4a48a85-22
0.268
MAK-UNK-cd94b63c-1
0.267
MAK-UNK-176ca439-3
0.267
SAD-SAT-7d5528d9-6
0.266
MAK-UNK-849bee6c-17
0.266
JAR-KUA-672ec752-7
0.264
MAK-UNK-a7992eb3-13
0.264
MAK-UNK-849bee6c-15
0.264
MED-COV-4280ac29-1
0.263
JAN-GHE-1d98ec1c-8
0.263
MAK-UNK-e4a48a85-7
0.262
MED-COV-4280ac29-15
0.262
JOH-UNI-0e1753c1-3
0.262
HYO-UNK-49a60884-1
0.262
AAR-POS-d2a4d1df-35
0.262
MAK-UNK-a7992eb3-14
0.262
JOK-SYG-18591e8f-1
0.261
MAK-UNK-a7992eb3-11
0.257
JOH-UNI-23d9e1b1-1
0.257
DRA-CSI-47e38074-14
0.257
MAK-UNK-849bee6c-9
0.256
SAD-SAT-7d5528d9-18
0.256
MAK-UNK-849bee6c-4
0.256
MAK-UNK-849bee6c-12
0.256
DAV-SYG-f22c749d-9
0.255
MAK-UNK-e4a48a85-9
0.255
DRA-CSI-47e38074-13
0.254
JUL-TUD-06b2044f-29
0.254
MAK-UNK-849bee6c-5
0.254
MAK-UNK-e4a48a85-25
0.254
MAK-UNK-10dfa458-45
0.254
MAK-UNK-987948f6-3
0.252
MAK-UNK-10dfa458-10
0.252
PAT-GYR-de8eec61-5
0.252
ERI-UCB-a0b0dbcb-12
0.252
MAK-UNK-af83ef51-21
0.252
JAR-KUA-8c13982c-7
0.250
BEN-VAN-c986b20b-1
0.250
JOH-UNI-0e1753c1-2
0.250
MAK-UNK-a7992eb3-12
0.248
MAK-UNK-849bee6c-8
0.248
MAK-UNK-e4a48a85-4
0.248
YOI-UNK-090ea88a-1
0.248
JOH-UNI-0e1753c1-1
0.248
PAT-UNK-b2d83456-3
0.248
AAR-POS-d2a4d1df-25
0.248
AHN-SAT-de2502ba-8
0.248
MAR-TRE-3e4e6814-94
0.246
MAK-UNK-849bee6c-13
0.246
BEN-VAN-c986b20b-4
0.246
SAD-SAT-c989feaa-8
0.246
STU-CHA-0be58c98-1
0.246
BEN-VAN-c986b20b-5
0.246
SAD-SAT-7d5528d9-21
0.246
WIL-LEE-23e8b574-3
0.246
MAK-UNK-6ca90168-13
0.245
DRR-IMP-38dce17f-2
0.245
MAK-UNK-849bee6c-1
0.244