Molecular Properties | |
SMILES: | Nc1cncc2c1CCCN2C(=O)[C@@H]1CCOc2ccc(Cl)cc21 |
MW: | 343.11 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 68.45 |
cLogP: | 3.16 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aniline
DAR-DIA-5a24bef0-13
0.735
DAR-DIA-5a24bef0-2
0.591
DAR-DIA-5a24bef0-5
0.559
DAR-DIA-5a24bef0-3
0.485
DAR-DIA-5a24bef0-6
0.480
DAR-DIA-5a24bef0-9
0.480
NAU-LAT-64bf4c5d-2
0.474
MAT-POS-7ddaf7de-4
0.458
ALP-POS-6495d03e-4
0.450
MAT-POS-afb6844f-5
0.446
MIC-UNK-deda7a44-6
0.444
ALP-POS-e2fddb0f-2
0.440
ALP-POS-79636100-1
0.440
ALP-POS-902f21bb-2
0.440
MAT-POS-afb6844f-4
0.440
DAR-DIA-5a24bef0-14
0.438
DAR-DIA-5a24bef0-15
0.438
DAR-DIA-5a24bef0-16
0.438
DAR-DIA-5a24bef0-17
0.438
MAK-UNK-8be7dca9-7
0.437
ALP-POS-6495d03e-2
0.437
MIC-UNK-13557a72-2
0.432
ALP-POS-6495d03e-5
0.430
ROB-UNI-569bc02e-8
0.429
TAT-ENA-0e28ea53-1
0.429
MAK-UNK-8be7dca9-9
0.427
PET-UNK-b1ef24dc-5
0.426
MAT-POS-a2421bb6-1
0.426
PET-UNK-b1ef24dc-7
0.426
NAU-LAT-b7d8c353-1
0.424
ALP-POS-cd485364-2
0.423
ALP-POS-6495d03e-1
0.422
ALP-POS-6495d03e-6
0.421
RAL-THA-3d7a794f-2
0.420
DAR-DIA-6a508060-6
0.418
JAN-GHE-f4ca5a00-13
0.418
MAT-POS-b3e365b9-3
0.418
MAT-POS-b3e365b9-4
0.418
BRU-CON-c4e3408a-1
0.418
PET-UNK-e274cad4-7
0.417
DAR-DIA-5a24bef0-8
0.417
PET-UNK-158bee2a-7
0.417
ALP-POS-b3e0acc5-2
0.416
ALP-POS-6495d03e-8
0.415
LON-WEI-0a73fcb8-5
0.415
DAR-DIA-5a24bef0-7
0.413
DAR-DIA-5a24bef0-10
0.413
RAL-THA-3d7a794f-4
0.412
VLA-UCB-1dbca3b4-15
0.412
BEN-DND-4f474d93-1
0.412
BEN-DND-4f474d93-3
0.412
MAT-POS-b3e365b9-2
0.412
ALP-POS-ce760d3f-2
0.412
MAT-POS-f7918075-1
0.412
MAT-POS-b3e365b9-1
0.412
MAT-POS-1f3c8e6f-1
0.410
ALP-POS-79636100-2
0.410
PET-UNK-e274cad4-2
0.410
ROB-UNI-569bc02e-2
0.409
BEN-DND-c852c98b-8
0.408
DAR-DIA-6a508060-2
0.408
MIC-UNK-deda7a44-7
0.408
BEN-DND-a7517465-10
0.408
ALP-POS-e2fddb0f-1
0.406
NAU-LAT-b7d8c353-7
0.404
RAL-THA-b74298ba-3
0.404
EDG-MED-fe7487f8-9
0.404
NAU-LAT-8502cac5-16
0.404
WIL-UCB-7ba4ac3a-2
0.404
MAK-UNK-3875bbc8-2
0.404
BEN-DND-c852c98b-9
0.404
BEN-DND-a7517465-9
0.404
MIC-UNK-b904ca85-4
0.402
MAK-UNK-8be7dca9-5
0.402
PET-UNK-6314f867-1
0.402
BEN-DND-c852c98b-7
0.402
FRA-DIA-a1f3a927-1
0.400
MAT-POS-afb6844f-1
0.400
NIR-WEI-acbd6416-2
0.400
ALF-EVA-5b152d2f-4
0.400
MAT-POS-b5c94171-1
0.400
RAL-THA-3d7a794f-1
0.400
JAG-UCB-c61058a9-9
0.400
PET-UNK-3e029fdc-1
0.400
PET-UNK-ee8352fa-6
0.398
MIC-UNK-b904ca85-3
0.398
ROB-UNI-569bc02e-6
0.398
MIC-UNK-7574fcc6-2
0.398
RAL-THA-b74298ba-1
0.398
JAG-UCB-571deb56-2
0.396
BEN-DND-c852c98b-10
0.396
BEN-DND-a7517465-1
0.396
BEN-DND-a7517465-8
0.396
MAT-POS-a2421bb6-2
0.396
ERI-UCB-9c7ec71b-4
0.396
JAN-GHE-f4ca5a00-21
0.396
JAG-UCB-c61058a9-44
0.396
EDJ-MED-e9694d2b-1
0.396
ERI-UCB-9c7ec71b-2
0.396
MAK-UNK-8be7dca9-2
0.394