Molecular Properties | |
SMILES: | CN(C(=O)C1CCOc2ccccc21)c1cncc2ccccc12 |
MW: | 318.14 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 42.43 |
cLogP: | 3.76 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UCB-1dbca3b4-15
MAK-UNK-3875bbc8-1
0.704
MAK-UNK-3875bbc8-2
0.695
WIL-UCB-7ba4ac3a-2
0.695
CHE-UNK-1fcbaeee-3
0.602
CHE-UNK-1fcbaeee-2
0.571
RAL-THA-05e671eb-1
0.553
ALF-EVA-a24cc7ce-2
0.528
VLA-UCB-05e51b3f-4
0.500
VLA-UCB-50c39ae8-1
0.500
ANT-OPE-3d7cb11b-2
0.483
DAR-DIA-5ff57136-14
0.475
PET-UNK-064639eb-6
0.474
PET-UNK-064639eb-3
0.474
BEN-DND-d1eb1f41-17
0.469
VLA-UCB-05e51b3f-9
0.469
VLA-UCB-50c39ae8-6
0.469
DAR-DIA-5ff57136-16
0.465
DAR-DIA-5ff57136-15
0.465
MAT-POS-090737b9-1
0.465
VLA-UCB-05e51b3f-10
0.465
VLA-UCB-50c39ae8-7
0.465
VLA-UCB-34f3ed0c-19
0.461
DAR-DIA-5ff57136-18
0.460
DAR-DIA-5ff57136-13
0.455
VLA-UNK-5c5a631c-3
0.455
VLA-UNK-4b5c0188-1
0.455
DAR-DIA-5ff57136-19
0.453
JOH-UNI-ea72002d-7
0.451
DAR-DIA-5ff57136-11
0.451
VLA-UNK-5c5a631c-2
0.447
JOH-UNI-ea72002d-1
0.447
VLA-UCB-34f3ed0c-1
0.447
DAR-DIA-5ff57136-10
0.447
VLA-UCB-34f3ed0c-20
0.442
JOH-UNI-ea72002d-6
0.442
DAR-DIA-5ff57136-17
0.442
DAR-DIA-5ff57136-9
0.439
MAT-POS-9db1e783-3
0.439
ROB-UNI-afd54964-1
0.438
ALP-UNI-44c99a80-3
0.434
ALP-UNI-44c99a80-2
0.430
MAK-UNK-83e0a0b4-3
0.427
VLA-UNK-5c5a631c-1
0.422
VLA-UCB-05e51b3f-7
0.420
VLA-UCB-50c39ae8-4
0.420
DAR-DIA-5ff57136-12
0.414
CHE-UNK-3dacc16b-3
0.413
MAK-UNK-83e0a0b4-4
0.410
ALF-EVA-a24cc7ce-7
0.409
RAL-THA-05e671eb-12
0.408
CYN-UNK-c04ce8cb-1
0.402
ADA-UCB-dc2b944c-5
0.394
RAL-THA-05e671eb-5
0.394
EDJ-MED-0e996074-1
0.391
ALP-POS-6d96567b-2
0.391
EDJ-MED-2c295496-1
0.391
ALP-POS-a0a4abd7-9
0.390
CHE-UNK-1fcbaeee-4
0.389
ALP-POS-a0a4abd7-7
0.388
ALP-POS-a0a4abd7-6
0.388
NIR-THE-5be8b355-1
0.388
DAR-DIA-6a508060-8
0.386
ANT-OPE-3d7cb11b-1
0.385
RAL-THA-05e671eb-13
0.384
RAL-THA-05e671eb-4
0.384
MAT-POS-b3e365b9-2
0.384
MAT-POS-f7918075-1
0.384
MAT-POS-b3e365b9-1
0.384
VLA-UCB-1dbca3b4-15
0.384
ADA-UCB-dc2b944c-7
0.384
RAL-THA-05e671eb-3
0.384
RAL-THA-05e671eb-34
0.384
RAL-THA-05e671eb-8
0.382
RAL-THA-05e671eb-14
0.382
MAT-POS-bb423b95-7
0.380
ALP-POS-a0a4abd7-8
0.380
MAT-POS-11b63608-1
0.380
RAL-THA-05e671eb-15
0.380
RAL-THA-05e671eb-35
0.376
BEN-DND-d1eb1f41-12
0.375
RAL-THA-05e671eb-32
0.374
ALF-EVA-5b152d2f-4
0.373
RAL-THA-05e671eb-7
0.373
DAR-DIA-6a508060-3
0.373
ANT-OPE-66a89c65-1
0.372
EDJ-MED-e4b030d8-9
0.370
RAL-THA-05e671eb-6
0.369
NIR-THE-af15c15d-1
0.368
NAU-LAT-8502cac5-1
0.367
DAR-DIA-6a508060-1
0.366
DAR-DIA-6a508060-2
0.366
ALF-EVA-5b152d2f-6
0.365
ANT-OPE-66a89c65-2
0.365
ALP-UNI-3735e77e-3
0.363
RAL-THA-05e671eb-11
0.363
RAL-THA-05e671eb-36
0.363
ANT-OPE-3d7cb11b-4
0.361
JOH-UNI-ee5ed7c8-7
0.360
ALP-POS-869ac754-1
0.360
JOH-UNI-3fc3434e-7
0.360