Molecular Properties | |
SMILES: | O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(Cc2ccccc2F)CC1 |
MW: | 365.15 |
Fraction sp3: | 0.24 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 56.41 |
cLogP: | 2.63 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
KRI-MAR-d2e3ef86-6
0.679
KRI-MAR-d2e3ef86-5
0.662
BEN-DND-7e92b6ca-10
0.662
ALP-POS-3fc1724e-4
0.622
BEN-DND-7e92b6ca-16
0.620
ERI-UCB-a0b0dbcb-12
0.607
ERI-UCB-a0b0dbcb-14
0.600
ERI-UCB-a0b0dbcb-13
0.598
BEN-DND-7e92b6ca-14
0.588
ERI-UCB-a0b0dbcb-11
0.580
BEN-DND-7e92b6ca-6
0.564
MAT-POS-916a2c5a-4
0.543
EDJ-MED-78f964c8-1
0.543
BEN-DND-7e92b6ca-15
0.535
ERI-UCB-a0b0dbcb-2
0.523
BEN-DND-7e92b6ca-7
0.512
ERI-UCB-a0b0dbcb-4
0.500
KRI-MAR-d2e3ef86-13
0.500
MAT-POS-916a2c5a-3
0.500
BEN-DND-7e92b6ca-11
0.500
BEN-DND-7e92b6ca-13
0.500
KRI-MAR-d2e3ef86-4
0.500
KRI-MAR-d2e3ef86-7
0.494
BEN-DND-7e92b6ca-12
0.489
ERI-UCB-a0b0dbcb-3
0.489
MAR-UCB-f313ec4d-5
0.489
EDJ-MED-d1cd9639-1
0.484
NAU-LAT-56d5284e-3
0.473
BEN-DND-7e92b6ca-9
0.462
NAU-LAT-56d5284e-2
0.462
ERI-UCB-ce40166b-21
0.444
MAT-POS-54c4bf04-4
0.438
ERI-UCB-d6de1f3c-1
0.436
NAU-LAT-56d5284e-5
0.430
ERI-UCB-a0b0dbcb-8
0.427
ERI-UCB-a0b0dbcb-6
0.423
NAU-LAT-56d5284e-8
0.421
ERI-UCB-a0b0dbcb-5
0.420
ERI-UCB-a0b0dbcb-9
0.419
MAT-POS-590ac91e-70
0.412
MAK-UNK-df1a028e-3
0.409
ERI-UCB-a0b0dbcb-1
0.408
ERI-UCB-a0b0dbcb-10
0.408
MAK-UNK-df1a028e-2
0.400
VLA-UCB-eb340134-1
0.398
VLA-UCB-eb340134-4
0.396
VLA-UCB-eb340134-3
0.390
ERI-UCB-d6de1f3c-8
0.390
DAR-DIA-53551c05-22
0.389
ERI-UCB-a0b0dbcb-7
0.388
MAR-UCB-d1255a91-2
0.385
BEN-DND-7e92b6ca-4
0.378
VLA-UCB-eb340134-2
0.376
ERI-UCB-d6de1f3c-4
0.375
JAN-GHE-82a280f8-1
0.374
DAR-DIA-53551c05-20
0.365
MAT-POS-590ac91e-57
0.364
MAT-POS-590ac91e-56
0.364
ALP-UNI-ed5cdfd2-4
0.361
MAT-POS-590ac91e-68
0.356
DAR-DIA-8e329c92-9
0.354
ERI-UCB-d6de1f3c-3
0.354
MAT-POS-590ac91e-58
0.354
ALP-UNI-ed5cdfd2-6
0.350
MAR-UCB-d1255a91-1
0.349
NAU-LAT-56d5284e-1
0.347
MAT-POS-590ac91e-67
0.347
NAU-LAT-56d5284e-6
0.347
BEN-DND-7e92b6ca-5
0.344
MAT-POS-590ac91e-61
0.343
DAR-DIA-fb20be43-2
0.341
DAR-DIA-8e329c92-10
0.340
MAT-POS-590ac91e-69
0.340
MAT-POS-590ac91e-62
0.340
ADA-UCB-b1b30a00-1
0.337
MAT-POS-590ac91e-64
0.337
MAT-POS-590ac91e-60
0.337
DAR-DIA-53551c05-17
0.333
DAR-DIA-53551c05-21
0.333
MAT-POS-590ac91e-65
0.333
NAU-LAT-56d5284e-4
0.333
MAT-POS-590ac91e-63
0.333
KRI-MAR-d2e3ef86-12
0.333
DAR-DIA-8e329c92-11
0.330
ALP-UNI-ed5cdfd2-5
0.330
KRI-MAR-d2e3ef86-15
0.330
ALP-UNI-ed5cdfd2-7
0.330
BEN-DND-7e92b6ca-3
0.330
JUL-TUD-06b2044f-30
0.330
ALP-POS-05819dc4-1
0.327
MAT-POS-590ac91e-59
0.324
PAU-UNI-19862c28-1
0.323
DAR-DIA-fb20be43-8
0.323
MAT-POS-590ac91e-66
0.320
MAT-POS-916a2c5a-2
0.320
ERI-UCB-ce40166b-14
0.318
DAR-DIA-8e329c92-5
0.318
DAR-DIA-8e329c92-4
0.317
NAU-LAT-a5c7d7cb-7
0.317
ALP-UNI-ed5cdfd2-8
0.317