Molecular Properties | |
SMILES: | O=C(CCl)N1CCCN(Cc2ccncc2Nc2cc3c(s2)CCCC3)CC1 |
MW: | 418.994 |
Fraction sp3: | 0.52 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 48.47 |
cLogP: | 4.0386 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
WAR-XCH-bdd24732-26
0.877
AAR-POS-d2a4d1df-41
0.413
TAT-ENA-80bfd3e5-20
0.413
MAK-UNK-7c9d1431-21
0.380
BEN-DND-6de5dfa0-16
0.354
NIR-THE-b7e8e081-2
0.354
JOO-PER-58e158bd-1
0.353
DRR-IMP-38dce17f-4
0.352
WAR-XCH-bdd24732-32
0.343
DRR-IMP-38dce17f-6
0.337
TAM-UNI-d1c3dd9f-13
0.333
ANU-UNK-2781581f-2
0.330
SEL-UNI-cd366922-6
0.323
MAK-UNK-7c9d1431-20
0.319
PED-UNI-89deb5c9-1
0.318
MED-COV-4280ac29-8
0.317
MED-COV-4280ac29-25
0.317
NEH-REV-107bcf72-5
0.316
TAM-UNI-d1c3dd9f-15
0.315
DAR-DIA-fb20be43-3
0.314
DAR-DIA-fb20be43-5
0.314
DRR-IMP-38dce17f-5
0.312
JOH-UNI-0e1753c1-3
0.309
HYO-UNK-49a60884-1
0.309
JOH-UNI-27ac80fd-23
0.309
AAR-POS-0daf6b7e-12
0.309
MED-COV-4280ac29-15
0.309
AAR-POS-d2a4d1df-35
0.309
BRU-LEF-ae0885ba-1
0.308
STE-UNK-13e151dd-1
0.308
PAU-UNI-8cdd41c7-1
0.308
PAU-UNI-52c0427f-1
0.308
DAR-DIA-fb20be43-4
0.308
SAD-SAT-581007d4-2
0.305
DAR-DIA-fb20be43-1
0.305
TAM-UNI-d1c3dd9f-18
0.305
MAK-UNK-7c9d1431-18
0.304
BEN-DND-09b88bf4-2
0.304
BEN-DND-6de5dfa0-1
0.304
STE-KUL-2e0d2e88-3
0.304
BEN-DND-03406596-7
0.304
WAR-XCH-bdd24732-27
0.304
MAK-UNK-7c9d1431-14
0.303
DAV-CRI-d1e0885a-3
0.302
MAK-UNK-849bee6c-1
0.302
HYO-UNK-50298ba0-1
0.301
DRR-IMP-38dce17f-3
0.300
MAK-UNK-7c9d1431-24
0.300
MAK-UNK-e4a48a85-20
0.299
DAR-DIA-fb20be43-8
0.298
PAU-UNI-19862c28-1
0.298
SAD-SAT-bc31ec01-1
0.298
AAR-POS-0daf6b7e-17
0.298
LON-WEI-8f408cad-5
0.298
AAR-POS-0daf6b7e-2
0.298
MAK-UNK-7c9d1431-29
0.297
MAK-UNK-e4a48a85-21
0.296
TAM-UNI-d1c3dd9f-5
0.296
BEN-DND-6de5dfa0-6
0.295
SEL-UNI-cd366922-7
0.295
DAR-DIA-fb20be43-9
0.294
MAK-UNK-748f8b7a-6
0.293
AAR-POS-d2a4d1df-24
0.292
STU-CHA-464c0256-1
0.291
MAK-UNK-af83ef51-27
0.291
SAD-SAT-5b1897b2-5
0.290
SAD-SAT-65574d3f-10
0.290
MAT-POS-ee51dedd-1
0.290
DAR-DIA-fb20be43-7
0.290
MED-COV-4280ac29-1
0.289
SAD-SAT-5b1897b2-2
0.289
DRR-IMP-38dce17f-2
0.289
DAR-DIA-fb20be43-2
0.288
MAK-UNK-849bee6c-24
0.288
DRR-IMP-38dce17f-1
0.287
AAR-POS-0daf6b7e-13
0.287
MAK-UNK-212f693e-8
0.287
LON-WEI-8f408cad-7
0.287
SAD-SAT-581007d4-4
0.287
AAR-POS-d2a4d1df-40
0.287
MED-COV-4280ac29-31
0.287
DAR-DIA-fb20be43-6
0.287
JAN-GHE-fd8d85a5-6
0.287
MIH-UNI-e573136b-4
0.287
MAK-UNK-af83ef51-21
0.287
TAM-UNI-d1c3dd9f-16
0.286
MAK-UNK-849bee6c-8
0.284
MAK-UNK-849bee6c-18
0.284
TAM-UNI-d1c3dd9f-6
0.284
MAK-UNK-849bee6c-9
0.284
DAV-CRI-d1e0885a-2
0.284
BEN-DND-03406596-1
0.284
MAK-UNK-af83ef51-1
0.284
BEN-DND-76ad4ac9-9
0.284
MAK-UNK-6ca90168-14
0.284
DRR-IMP-38dce17f-7
0.284
BOG-INS-0b2b845a-1
0.283
MAK-UNK-849bee6c-4
0.283
SAD-SAT-24589cd1-6
0.282
MAK-UNK-849bee6c-13
0.282