Molecular Properties | |
SMILES: | O=C(NC1CCOc2ccc(Cl)cc21)c1cc(=O)[nH]c2ccccc12 |
MW: | 354.08 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 71.19 |
cLogP: | 3.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-bea7b391-2
0.600
ALF-EVA-a24cc7ce-6
0.576
ALP-POS-64a6e87e-1
0.534
NAU-LAT-b7d8c353-3
0.495
JAG-UCB-c61058a9-45
0.495
BEN-DND-b89db3f2-1
0.495
FRA-DIA-e29753f2-1
0.495
VLA-UCB-05e51b3f-18
0.495
VLA-UCB-50c39ae8-11
0.495
MAK-UNK-919546f0-6
0.488
IND-SYN-6c8299e8-6
0.482
NAU-LAT-28398581-2
0.480
NAU-LAT-56d5284e-4
0.479
NAU-LAT-56d5284e-7
0.479
EDG-MED-fe7487f8-15
0.473
NAU-LAT-28398581-3
0.464
NAU-LAT-64bf4c5d-3
0.448
NAU-LAT-64bf4c5d-5
0.444
NAU-LAT-56d5284e-2
0.433
MAT-UCB-70f7c0f7-4
0.429
JAN-GHE-82a280f8-2
0.422
NAU-LAT-56d5284e-6
0.420
NAU-LAT-a5c7d7cb-7
0.418
ALP-POS-bea7b391-3
0.411
NAU-LAT-56d5284e-8
0.410
NAU-LAT-56d5284e-1
0.408
MAT-UCB-70f7c0f7-3
0.408
ADA-UCB-b1b30a00-2
0.408
NAU-LAT-56d5284e-3
0.402
MAT-POS-54c4bf04-1
0.400
JAN-GHE-82a280f8-3
0.394
ERI-UCB-d6de1f3c-8
0.394
DAR-DIA-8e329c92-4
0.388
VLA-UCB-eb340134-1
0.388
ALP-POS-05819dc4-1
0.385
ERI-UCB-a0b0dbcb-10
0.385
JAG-UCB-52b62a6f-17
0.385
MAT-POS-54c4bf04-4
0.385
ERI-UCB-a0b0dbcb-2
0.384
ERI-UCB-a0b0dbcb-12
0.382
ERI-UCB-d6de1f3c-1
0.382
VLA-UCB-eb340134-3
0.381
ALP-UNI-ed5cdfd2-4
0.380
NAU-LAT-56d5284e-5
0.376
EDJ-MED-ba7e64f2-3
0.374
VLA-UCB-eb340134-4
0.373
ERI-UCB-d6de1f3c-3
0.371
ALP-POS-3fc1724e-2
0.369
ERI-UCB-ce40166b-17
0.369
BEN-DND-7e92b6ca-4
0.368
JAG-UCB-52b62a6f-6
0.365
BEN-DND-7e92b6ca-5
0.365
BEN-DND-7e92b6ca-3
0.364
MAR-UCB-f313ec4d-4
0.363
MIC-UNK-42806bd5-4
0.361
ERI-UCB-ce40166b-18
0.360
DAR-DIA-8e329c92-10
0.359
VLA-UNK-0ffe3317-2
0.359
ALP-POS-8b8a49e1-2
0.359
NAU-LAT-64bf4c5d-1
0.359
EDJ-MED-ba7e64f2-2
0.358
ALP-POS-3fc1724e-1
0.358
JOH-UNI-f51e3bbc-1
0.358
JAG-UCB-c61058a9-46
0.357
ADA-UCB-b1b30a00-1
0.356
ALP-UNI-ed5cdfd2-6
0.356
MAT-UCB-70f7c0f7-1
0.355
ERI-UCB-a0b0dbcb-7
0.355
MAR-UCB-d1255a91-1
0.354
MIC-UNK-fc94cdb5-2
0.354
KRI-MAR-d2e3ef86-12
0.353
MAT-POS-916a2c5a-2
0.353
JAN-GHE-82a280f8-1
0.352
VLA-UNK-0ffe3317-1
0.352
JAN-GHE-f4ca5a00-2
0.352
NIR-WEI-acbd6416-2
0.352
FRA-DIA-a1f3a927-1
0.352
ERI-UCB-ce40166b-13
0.351
MAT-UCB-70f7c0f7-2
0.351
ALP-POS-ddb41b15-1
0.351
ALP-POS-ddb41b15-4
0.351
ALP-UNI-ed5cdfd2-7
0.350
ALP-UNI-ed5cdfd2-8
0.350
KRI-MAR-d2e3ef86-15
0.350
MAT-POS-b3e365b9-2
0.349
VLA-UCB-1dbca3b4-15
0.349
MAT-POS-f7918075-1
0.349
MAT-POS-b3e365b9-1
0.349
ALP-POS-ce760d3f-4
0.349
EDJ-MED-eff36d94-1
0.349
DAR-DIA-8e329c92-5
0.349
JOH-UNI-f51e3bbc-3
0.349
ERI-UCB-ce40166b-14
0.348
DAR-DIA-8e329c92-9
0.347
PET-UNK-158bee2a-5
0.346
DAR-DIA-6a508060-7
0.346
VLA-UNK-0ffe3317-7
0.346
EDJ-MED-d1cd9639-1
0.346
ALF-EVA-5b152d2f-6
0.345
ERI-UCB-d6de1f3c-4
0.345