Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(Cc2cc(Cl)cc3cc(Cl)ccc23)CC1 |
MW: | 370.04 |
Fraction sp3: | 0.35 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 23.55 |
cLogP: | 4.03 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
DAR-DIA-fb20be43-7
DAR-DIA-fb20be43-8
0.657
PAU-UNI-19862c28-1
0.657
JOO-PER-58e158bd-1
0.629
AAR-POS-d2a4d1df-35
0.500
JOH-UNI-0e1753c1-3
0.500
HYO-UNK-49a60884-1
0.500
MED-COV-4280ac29-37
0.500
MED-COV-4280ac29-15
0.500
DAR-DIA-fb20be43-12
0.500
DAR-DIA-fb20be43-2
0.486
MAK-UNK-7c9d1431-29
0.469
STU-CHA-6d5cfe2b-1
0.464
SAD-SAT-bc31ec01-1
0.463
DAR-DIA-fb20be43-7
0.462
PAU-UNI-8cdd41c7-1
0.462
DAR-DIA-fb20be43-6
0.456
MAT-POS-4e253971-2
0.455
MED-COV-4280ac29-31
0.452
AAR-POS-d2a4d1df-40
0.452
NEH-REV-107bcf72-5
0.443
STU-CHA-6cae54d3-1
0.440
SAD-SAT-581007d4-7
0.429
MAT-POS-2db6411e-2
0.429
SAD-SAT-581007d4-1
0.429
SAD-SAT-581007d4-2
0.429
MAK-UNK-7c9d1431-20
0.429
DAR-DIA-fb20be43-9
0.427
DRR-IMP-38dce17f-1
0.426
SEA-TRI-67e8f1c7-1
0.419
SAD-SAT-5b1897b2-5
0.419
STU-CHA-5350f95a-1
0.416
DRR-IMP-38dce17f-3
0.409
MAK-UNK-7c9d1431-24
0.409
AAR-POS-d2a4d1df-24
0.408
STU-CHA-7b3b91d5-1
0.407
DRR-IMP-38dce17f-2
0.403
MIH-UNI-e573136b-5
0.403
MIH-UNI-e573136b-4
0.402
AAR-POS-0daf6b7e-2
0.400
MAK-UNK-7c9d1431-14
0.400
SAD-SAT-65574d3f-10
0.400
MAK-UNK-6ca90168-15
0.400
DAR-DIA-fb20be43-15
0.398
DRR-IMP-38dce17f-6
0.397
SAD-SAT-581007d4-3
0.395
MED-COV-4280ac29-33
0.395
AHN-SAT-de2502ba-15
0.392
SEL-UNI-cd366922-6
0.390
JOK-SYG-18591e8f-1
0.387
AAR-POS-0daf6b7e-13
0.386
SAD-SAT-65574d3f-9
0.386
LON-WEI-8f408cad-7
0.386
MAK-UNK-212f693e-8
0.386
MAK-UNK-7c9d1431-16
0.382
MAR-TRE-6a44bbf2-54
0.382
MAT-POS-ee51dedd-1
0.382
AAR-POS-0daf6b7e-17
0.380
MAK-UNK-6ca90168-14
0.380
DRR-IMP-38dce17f-5
0.380
LON-WEI-8f408cad-5
0.380
MAK-UNK-7c9d1431-28
0.380
DRR-IMP-38dce17f-7
0.380
NEH-REV-107bcf72-3
0.380
TAM-UNI-d1c3dd9f-18
0.378
TAM-UNI-d1c3dd9f-17
0.378
MED-COV-4280ac29-35
0.378
TAM-UNI-d1c3dd9f-20
0.375
JOH-UNI-27ac80fd-23
0.375
DRR-IMP-38dce17f-4
0.375
DRR-IMP-38dce17f-8
0.375
AAR-POS-0daf6b7e-12
0.375
MAR-LAB-ca4662a6-2
0.375
DAR-DIA-fb20be43-3
0.373
TAM-UNI-d1c3dd9f-4
0.372
JIA-UNI-93b03cae-1
0.370
MAT-POS-4e253971-1
0.367
TAM-UNI-d1c3dd9f-19
0.367
STE-UNK-13e151dd-1
0.366
BRU-LEF-ae0885ba-1
0.366
DAR-DIA-fb20be43-4
0.366
SEL-UNI-cd366922-7
0.366
PAU-UNI-52c0427f-1
0.366
SAD-SAT-5b1897b2-2
0.365
MAK-UNK-cd94b63c-1
0.365
MAK-UNK-176ca439-3
0.365
TAM-UNI-d1c3dd9f-13
0.365
TAM-UNI-d1c3dd9f-6
0.365
DAV-CRI-d1e0885a-1
0.364
ATU-SYN-3e3fbfe4-1
0.363
PAU-UNI-b2b6b158-1
0.362
MAK-UNK-7c9d1431-18
0.362
STU-CHA-128b80be-1
0.362
DAR-DIA-fb20be43-1
0.361
TAM-UNI-d1c3dd9f-14
0.360
MAK-UNK-e4a48a85-26
0.360
AAR-POS-d2a4d1df-41
0.359
TAT-ENA-80bfd3e5-20
0.359
TAM-UNI-d1c3dd9f-1
0.359
DAR-DIA-fb20be43-16
0.359
DAV-CRI-d1e0885a-3
0.357