Molecular Properties | |
SMILES: | CCNc1ccc(Oc2nncc3cn(C)c(CN4CCN(C(=O)CCl)CC4)c23)cn1 |
MW: | 443.939 |
Fraction sp3: | 0.43 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 88.41 |
cLogP: | 2.4704 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MAK-UNK-af83ef51-29
0.454
MAK-UNK-af83ef51-31
0.441
MAK-UNK-af83ef51-27
0.417
DAR-DIA-fb20be43-5
0.386
MAK-UNK-af83ef51-30
0.366
DAV-CRI-d1e0885a-2
0.365
BRU-LEF-ae0885ba-1
0.353
DAR-DIA-fb20be43-4
0.353
PAU-UNI-52c0427f-1
0.353
DAR-DIA-fb20be43-1
0.350
MAK-UNK-849bee6c-21
0.348
MAK-UNK-849bee6c-20
0.336
MAK-UNK-849bee6c-22
0.333
ANT-STE-dbb91f63-1
0.333
MAK-UNK-7c9d1431-29
0.333
SEL-UNI-cd366922-6
0.330
DRR-IMP-38dce17f-4
0.330
DRR-IMP-38dce17f-6
0.330
TAM-UNI-d1c3dd9f-6
0.327
DAV-CRI-d1e0885a-4
0.327
SEL-UNI-cd366922-7
0.327
MAK-UNK-c97f7c8f-2
0.327
MAK-UNK-849bee6c-23
0.325
MAK-UNK-849bee6c-12
0.324
MAK-UNK-849bee6c-13
0.322
MAK-UNK-849bee6c-2
0.322
MED-COV-4280ac29-24
0.321
TAM-UNI-d1c3dd9f-19
0.319
ANT-STE-dbb91f63-2
0.318
TAM-UNI-d1c3dd9f-2
0.315
SAD-SAT-581007d4-2
0.312
MAK-UNK-849bee6c-26
0.311
MED-COV-4280ac29-8
0.311
MED-COV-4280ac29-25
0.311
MAK-UNK-849bee6c-3
0.310
MAK-UNK-e4a48a85-18
0.310
SAD-SAT-5b1897b2-5
0.310
SAD-SAT-5b1897b2-2
0.309
DAV-CRI-d1e0885a-3
0.308
DAR-DIA-fb20be43-3
0.308
MAK-UNK-af83ef51-32
0.308
MAK-UNK-7c9d1431-24
0.308
DRR-IMP-38dce17f-3
0.308
SAD-SAT-581007d4-4
0.307
MAK-UNK-849bee6c-14
0.306
MAK-UNK-e4a48a85-20
0.306
DRR-IMP-38dce17f-7
0.305
MAK-UNK-6ca90168-14
0.305
DRR-IMP-38dce17f-5
0.305
MAK-UNK-af83ef51-22
0.305
MAK-UNK-af83ef51-25
0.304
MAK-UNK-af83ef51-1
0.304
MAK-UNK-af83ef51-23
0.303
MAK-UNK-af83ef51-26
0.303
MAK-UNK-af83ef51-24
0.303
MAK-UNK-e4a48a85-21
0.303
MAK-UNK-af83ef51-20
0.303
MAK-UNK-10dfa458-19
0.303
MAR-LAB-ca4662a6-2
0.302
PAU-UNI-8cdd41c7-1
0.301
MAK-UNK-849bee6c-4
0.301
NIM-UNI-594fbbb6-3
0.301
NIM-UNI-bb610069-3
0.301
ANT-STE-dbb91f63-3
0.300
MAK-UNK-e4a48a85-26
0.300
DAR-DIA-fb20be43-18
0.299
MAK-UNK-7c9d1431-20
0.299
JIA-UNI-93b03cae-1
0.299
AAR-POS-d2a4d1df-24
0.299
MAK-UNK-849bee6c-6
0.298
PAU-UNI-b2b6b158-1
0.298
MAR-TRE-6a44bbf2-54
0.297
MAK-UNK-7c9d1431-16
0.297
DAR-DIA-fb20be43-7
0.296
STE-KUL-2e0d2e88-7
0.295
MAK-UNK-212f693e-8
0.295
AAR-POS-0daf6b7e-13
0.295
DRR-IMP-38dce17f-1
0.295
LON-WEI-8f408cad-7
0.295
WAR-XCH-bdd24732-26
0.294
SAD-SAT-581007d4-3
0.294
MED-COV-4280ac29-33
0.294
DAV-CRI-d1e0885a-6
0.292
SAD-SAT-bc31ec01-1
0.292
MAK-UNK-849bee6c-9
0.291
MAK-UNK-7c9d1431-21
0.290
MAK-UNK-10dfa458-44
0.289
AAR-POS-d2a4d1df-35
0.289
MED-COV-4280ac29-15
0.289
HYO-UNK-49a60884-1
0.289
JOH-UNI-0e1753c1-3
0.289
MED-COV-4280ac29-19
0.288
MAK-UNK-af83ef51-19
0.288
JOK-SYG-18591e8f-1
0.287
JOH-UNI-27ac80fd-39
0.287
MAK-UNK-e4a48a85-23
0.287
MAK-UNK-849bee6c-15
0.286
SAD-SAT-581007d4-1
0.286
SAD-SAT-581007d4-7
0.286
MAK-UNK-af83ef51-17
0.286