Molecular Properties | |
SMILES: | Cc1ccc(Cl)cc1CN1CCN(C(=O)CCl)C(=O)C1 |
MW: | 314.06 |
Fraction sp3: | 0.43 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 40.62 |
cLogP: | 2.06 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
STU-CHA-5350f95a-1
0.348
MED-COV-4280ac29-37
0.346
MAK-UNK-7c9d1431-20
0.324
STU-CHA-6cae54d3-1
0.322
HYO-UNK-50298ba0-1
0.317
KIM-UNI-7d12df64-3
0.312
SAD-SAT-65574d3f-10
0.304
STU-CHA-6d5cfe2b-1
0.301
KIM-UNI-7d12df64-1
0.300
TAT-ENA-80bfd3e5-20
0.300
AAR-POS-d2a4d1df-41
0.300
MAK-UNK-7c9d1431-29
0.296
JOH-UNI-0e1753c1-3
0.293
AAR-POS-d2a4d1df-35
0.293
MED-COV-4280ac29-15
0.293
HYO-UNK-49a60884-1
0.293
SAD-SAT-581007d4-2
0.289
JOO-PER-58e158bd-1
0.287
STU-CHA-7b3b91d5-1
0.286
DAR-DIA-fb20be43-8
0.282
PAU-UNI-19862c28-1
0.282
MED-COV-4280ac29-13
0.280
HYO-UNK-1dbfcf16-1
0.280
MAK-UNK-7c9d1431-21
0.278
MAK-UNK-10799360-8
0.276
AHN-SAT-de2502ba-3
0.275
AAR-POS-d2a4d1df-36
0.275
PAU-UNI-8cdd41c7-1
0.274
AAR-POS-d2a4d1df-24
0.273
JOH-UNI-23d9e1b1-1
0.269
NEH-REV-107bcf72-5
0.269
DAN-LON-a5fc619e-4
0.267
SAD-SAT-65574d3f-9
0.267
MAK-UNK-6ca90168-10
0.267
STE-UNK-13e151dd-1
0.264
AAR-POS-0daf6b7e-2
0.263
SAD-SAT-bc31ec01-1
0.263
MAK-UNK-4b073b5c-14
0.262
TAM-UNI-d1c3dd9f-17
0.261
TAM-UNI-d1c3dd9f-4
0.261
MAK-UNK-ec98eaf6-17
0.261
MAR-LAB-ca4662a6-2
0.260
NEH-REV-107bcf72-4
0.259
DAR-DIA-fb20be43-5
0.258
RAL-THA-2d450e86-27
0.258
SAD-SAT-581007d4-1
0.256
NAM-UNK-f7c77a48-3
0.256
SAD-SAT-581007d4-7
0.256
MAT-POS-2db6411e-2
0.256
SAD-SAT-5b1897b2-5
0.256
TAT-ENA-80bfd3e5-30
0.256
DRR-IMP-38dce17f-8
0.256
ALP-POS-79636100-3
0.255
MED-COV-4280ac29-33
0.253
JAN-GHE-fd8d85a5-3
0.253
TAM-UNI-d1c3dd9f-13
0.253
MAK-UNK-10799360-12
0.252
JOH-UNI-e19b918c-10
0.250
MAK-UNK-e4a48a85-26
0.250
SEL-UNI-cd366922-6
0.250
MAK-UNK-af83ef51-27
0.250
MAR-TRE-6a44bbf2-12
0.250
DRR-IMP-38dce17f-1
0.250
STU-CHA-128b80be-1
0.248
DAR-DIA-fb20be43-15
0.247
PAU-WEI-b9b69149-3
0.247
DAN-LON-a5fc619e-10
0.247
SAD-SAT-c989feaa-3
0.247
TAM-UNI-d1c3dd9f-18
0.247
DAN-LON-a5fc619e-2
0.247
MIH-UNI-e573136b-5
0.247
AHN-SAT-de2502ba-15
0.247
AAR-POS-0daf6b7e-17
0.247
LON-WEI-8f408cad-5
0.247
ASH-SAT-43770c7d-10
0.247
MAK-UNK-6ca90168-15
0.247
MAK-UNK-7c9d1431-24
0.247
DRR-IMP-38dce17f-3
0.247
STU-CHA-128b80be-2
0.245
AVI-UNI-70b60925-2
0.245
DAR-DIA-fb20be43-3
0.244
DAR-DIA-fb20be43-7
0.244
JON-UIO-066ce08b-16
0.244
AAR-POS-0daf6b7e-3
0.244
JOK-SYG-18591e8f-1
0.244
RHE-UNK-eb059eb9-1
0.244
MAR-TRE-6a44bbf2-13
0.244
WAR-XCH-79d12f6e-6
0.244
JOH-UNI-0e1753c1-2
0.244
JOH-UNI-27ac80fd-23
0.244
AAR-POS-0daf6b7e-12
0.244
DRR-IMP-38dce17f-4
0.244
DRR-IMP-db50bf6e-3
0.243
DAN-LON-a5fc619e-3
0.242
DAN-LON-a5fc619e-5
0.242
JOH-UNI-0e1753c1-5
0.242
BEN-VAN-d8fd1356-23
0.242
NIR-THE-b7e8e081-2
0.241
DAR-DIA-fb20be43-2
0.241
BEN-DND-6de5dfa0-16
0.241