Molecular Properties | |
SMILES: | Nc1cncc2c1CCCN2C(=O)[C@@H]1COc2ccc(Cl)cc21 |
MW: | 329.09 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 68.45 |
cLogP: | 2.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aniline
DAR-DIA-5a24bef0-1
0.735
DAR-DIA-5a24bef0-5
0.584
DAR-DIA-5a24bef0-2
0.565
DAR-DIA-5a24bef0-9
0.485
DAR-DIA-5a24bef0-6
0.485
DAR-DIA-5a24bef0-3
0.475
ALP-POS-cd485364-2
0.457
DAR-DIA-5a24bef0-17
0.457
DAR-DIA-5a24bef0-16
0.441
DAR-DIA-5a24bef0-14
0.441
DAR-DIA-5a24bef0-15
0.441
DAR-DIA-5a24bef0-8
0.419
DAR-DIA-5a24bef0-7
0.416
DAR-DIA-5a24bef0-10
0.416
ALF-EVA-a24cc7ce-2
0.404
DAR-DIA-5a24bef0-4
0.404
ALF-EVA-a24cc7ce-4
0.400
MAT-POS-bbbbc21a-2
0.388
MAT-POS-f7918075-2
0.388
EDJ-MED-12c115cc-2
0.388
EDJ-MED-12c115cc-1
0.388
MAR-UCB-6ab2ec87-5
0.380
ERI-UCB-b3e6b0c2-10
0.379
JAG-UCB-c61058a9-27
0.371
JOH-UNI-21fd6073-3
0.370
JAG-UCB-c61058a9-5
0.368
NIR-THE-47736cde-1
0.368
MAT-POS-e69ad64a-2
0.368
NIR-THE-47736cde-2
0.368
NIR-THE-2069301b-1
0.364
ALF-EVA-a24cc7ce-1
0.363
ERI-UCB-b3e6b0c2-1
0.362
JAG-UCB-c61058a9-14
0.361
MIC-UNK-deda7a44-5
0.361
JAG-UCB-c61058a9-18
0.361
NAU-LAT-8502cac5-2
0.361
MAT-POS-7ddaf7de-4
0.360
NIR-THE-af15c15d-1
0.358
JAG-UCB-a3ef7265-3
0.357
JOH-UNI-21fd6073-4
0.353
MAT-POS-afb6844f-5
0.352
ERI-UCB-b3e6b0c2-14
0.351
JAG-UCB-c61058a9-3
0.350
JAG-UCB-c61058a9-1
0.350
JAG-UCB-47403a7c-1
0.350
MIC-UNK-deda7a44-6
0.350
ALF-EVA-a24cc7ce-8
0.350
MAT-POS-afb6844f-4
0.346
MAK-UNK-8be7dca9-7
0.346
DAR-DIA-b4e9dd8d-6
0.339
DAR-DIA-b4e9dd8d-1
0.339
DAR-DIA-b4e9dd8d-3
0.339
NAU-LAT-8502cac5-6
0.337
MAK-UNK-8be7dca9-9
0.336
ERI-UCB-b3e6b0c2-15
0.336
ERI-UCB-b3e6b0c2-7
0.336
ERI-UCB-b3e6b0c2-6
0.336
TAT-ENA-0e28ea53-1
0.333
MIC-UNK-13557a72-2
0.333
PET-UNK-e274cad4-2
0.333
PET-UNK-b1ef24dc-5
0.333
PET-UNK-b1ef24dc-7
0.333
PET-UNK-158bee2a-7
0.333
MAT-POS-a2421bb6-1
0.333
BEN-DND-a7517465-9
0.330
BEN-DND-c852c98b-9
0.330
NAU-LAT-b7d8c353-1
0.330
VLA-UNK-4b5c0188-1
0.327
MAK-UNK-8be7dca9-5
0.327
WIL-UCB-7ba4ac3a-2
0.327
MAK-UNK-3875bbc8-2
0.327
RAL-THA-3d7a794f-2
0.327
JAG-UCB-571deb56-2
0.325
ALF-EVA-5b152d2f-1
0.324
ALF-EVA-5b152d2f-4
0.324
ALP-POS-b3e0acc5-2
0.324
BRU-CON-c4e3408a-1
0.324
DAR-DIA-6a508060-6
0.324
RAL-THA-b74298ba-3
0.324
MAT-POS-b3e365b9-3
0.324
MAT-POS-b3e365b9-4
0.324
JAN-GHE-f4ca5a00-13
0.324
EDG-MED-fe7487f8-9
0.324
JOH-UNI-ea72002d-1
0.322
MAK-UNK-8be7dca9-2
0.321
ALF-EVA-5b152d2f-8
0.321
MAT-POS-f7918075-1
0.321
MAT-POS-b3e365b9-2
0.321
VLA-UCB-1dbca3b4-15
0.321
BEN-DND-4f474d93-1
0.321
BEN-DND-4f474d93-3
0.321
ALP-POS-ce760d3f-2
0.321
MAT-POS-b3e365b9-1
0.321
ALF-EVA-5b152d2f-3
0.321
PET-UNK-b1ef24dc-8
0.321
NAU-LAT-64bf4c5d-2
0.320
NAU-LAT-b7d8c353-2
0.318
ALP-POS-82da25a3-1
0.318
BEN-DND-a7517465-10
0.318
ALP-POS-696356e4-1
0.318