Molecular Properties | |
SMILES: | COc1cc(CN2CCN(C(=O)CCl)CC2)c2c(c1)C(CCNC(C)=O)=CC2 |
MW: | 405.926 |
Fraction sp3: | 0.52 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 61.88 |
cLogP: | 2.0439 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
DAR-DIA-fb20be43-10
0.725
DAR-DIA-fb20be43-14
0.500
DAR-DIA-fb20be43-5
0.418
DAR-DIA-fb20be43-7
0.418
JOK-SYG-b9f02a42-3
0.412
STU-CHA-bc0a9883-1
0.408
JOK-SYG-302da050-1
0.408
DAR-DIA-fb20be43-15
0.408
DAR-DIA-fb20be43-11
0.408
NAU-LAT-f723e322-1
0.408
TAM-UNI-d1c3dd9f-20
0.402
MED-COV-4280ac29-37
0.400
JOK-SYG-b9f02a42-1
0.396
DAR-DIA-fb20be43-18
0.396
SAD-SAT-65574d3f-10
0.395
DUN-NEW-f8ce3686-24
0.394
JOK-SYG-b9f02a42-2
0.388
TAM-UNI-d1c3dd9f-19
0.380
TAM-UNI-d1c3dd9f-18
0.376
DRR-IMP-38dce17f-8
0.374
SEL-UNI-cd366922-8
0.373
NEH-REV-107bcf72-5
0.365
TAM-UNI-d1c3dd9f-17
0.362
STU-CHA-6cae54d3-1
0.360
JOO-PER-d7ab4f65-1
0.359
SEL-UNI-cd366922-6
0.356
MAK-UNK-7c9d1431-20
0.353
STU-CHA-7b3b91d5-1
0.349
SAD-SAT-5b1897b2-5
0.348
JOH-UNI-27ac80fd-38
0.348
SAD-SAT-bc31ec01-1
0.345
MED-COV-4280ac29-33
0.344
DAR-DIA-fb20be43-3
0.344
TAM-UNI-d1c3dd9f-4
0.343
NIR-THE-0d6461ce-3
0.343
WIL-LEE-23e8b574-2
0.337
MIH-UNI-e573136b-5
0.337
BRU-LEF-ae0885ba-1
0.337
STE-UNK-13e151dd-1
0.337
PAU-UNI-52c0427f-1
0.337
DAR-DIA-fb20be43-4
0.337
DAV-CRI-d1e0885a-2
0.337
TAM-UNI-d1c3dd9f-13
0.337
DAR-DIA-fb20be43-1
0.333
JOH-UNI-27ac80fd-39
0.333
MAK-UNK-7c9d1431-14
0.333
MED-COV-4280ac29-35
0.333
STU-CHA-5350f95a-1
0.330
MAK-UNK-176ca439-2
0.330
STU-CHA-464c0256-1
0.330
DUN-NEW-f8ce3686-2
0.330
TAM-UNI-d1c3dd9f-9
0.330
ANT-STE-dbb91f63-1
0.330
DAV-CRI-d1e0885a-3
0.330
TAT-ENA-80bfd3e5-20
0.330
MAK-UNK-176ca439-1
0.330
MED-COV-4280ac29-31
0.330
AAR-POS-d2a4d1df-41
0.330
AAR-POS-d2a4d1df-40
0.330
WIL-LEE-23e8b574-3
0.330
STU-CHA-6d5cfe2b-1
0.327
ANT-STE-dbb91f63-2
0.327
DAV-CRI-d1e0885a-6
0.326
TAM-UNI-d1c3dd9f-16
0.326
PAU-UNI-8cdd41c7-1
0.325
JOK-SYG-18591e8f-1
0.322
SAD-SAT-581007d4-1
0.322
SAD-SAT-581007d4-2
0.322
AAR-POS-d2a4d1df-24
0.322
TAM-UNI-d1c3dd9f-1
0.321
MAK-UNK-af83ef51-14
0.321
DAR-DIA-fb20be43-16
0.321
MAK-UNK-7c9d1431-30
0.319
NEH-REV-107bcf72-3
0.319
MAR-TRE-6a44bbf2-45
0.319
DRR-IMP-38dce17f-2
0.318
DRR-IMP-38dce17f-3
0.317
MAK-UNK-7c9d1431-24
0.317
TAM-UNI-d1c3dd9f-15
0.317
MED-COV-4280ac29-24
0.316
HYO-UNK-50298ba0-1
0.316
DAR-DIA-fb20be43-2
0.316
NAU-LAT-81109c57-6
0.314
AAR-POS-0daf6b7e-2
0.314
LON-WEI-8f408cad-5
0.314
MAK-UNK-7c9d1431-28
0.314
AAR-POS-0daf6b7e-17
0.314
MAK-UNK-7c9d1431-29
0.313
DAR-DIA-fb20be43-6
0.313
MIH-UNI-e573136b-4
0.313
DAR-DIA-fb20be43-8
0.312
PAU-UNI-19862c28-1
0.312
MAK-UNK-7c9d1431-21
0.311
JOH-UNI-0e1753c1-3
0.310
HYO-UNK-49a60884-1
0.310
MAR-LAB-ca4662a6-2
0.310
AAR-POS-d2a4d1df-35
0.310
MED-COV-4280ac29-15
0.310
MAK-UNK-cd94b63c-1
0.310
MAK-UNK-176ca439-3
0.310