Molecular Properties | |
SMILES: | O=C(c1cc(=O)[nH]c2ccccc12)N1CC(N2CCOc3ccccc32)C1 |
MW: | 361.14 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 65.64 |
cLogP: | 2.25 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-916a2c5a-4
ERI-UCB-a0b0dbcb-7
0.793
BEN-DND-7e92b6ca-16
0.483
BEN-DND-7e92b6ca-6
0.465
ERI-UCB-a0b0dbcb-9
0.462
MAT-POS-916a2c5a-4
0.449
EDJ-MED-78f964c8-1
0.449
NAU-LAT-56d5284e-8
0.448
BEN-DND-7e92b6ca-13
0.447
BEN-DND-7e92b6ca-14
0.440
ERI-UCB-a0b0dbcb-8
0.439
MAK-UNK-df1a028e-3
0.436
BEN-DND-7e92b6ca-10
0.435
KRI-MAR-d2e3ef86-5
0.435
MAT-POS-54c4bf04-4
0.434
ERI-UCB-d6de1f3c-8
0.430
ERI-UCB-a0b0dbcb-14
0.429
NAU-LAT-56d5284e-2
0.427
KRI-MAR-d2e3ef86-7
0.427
BEN-DND-7e92b6ca-7
0.426
NAU-LAT-56d5284e-3
0.424
ERI-UCB-a0b0dbcb-3
0.423
ERI-UCB-a0b0dbcb-2
0.421
ERI-UCB-a0b0dbcb-6
0.420
ERI-UCB-a0b0dbcb-12
0.418
ERI-UCB-d6de1f3c-1
0.418
DAR-DIA-53551c05-22
0.418
ERI-UCB-a0b0dbcb-5
0.417
BEN-DND-7e92b6ca-11
0.417
BEN-DND-7e92b6ca-15
0.417
KRI-MAR-d2e3ef86-13
0.417
BEN-DND-7e92b6ca-9
0.412
BEN-DND-7e92b6ca-12
0.408
MAR-UCB-f313ec4d-5
0.408
ALP-POS-3fc1724e-3
0.408
EDJ-MED-d1cd9639-1
0.406
KRI-MAR-d2e3ef86-4
0.404
MAT-POS-916a2c5a-3
0.404
ERI-UCB-a0b0dbcb-4
0.404
ERI-UCB-a0b0dbcb-13
0.402
ERI-UCB-a0b0dbcb-11
0.402
KRI-MAR-d2e3ef86-6
0.400
NAU-LAT-56d5284e-5
0.398
ERI-UCB-ce40166b-21
0.387
ERI-UCB-d6de1f3c-4
0.386
MAK-UNK-df1a028e-2
0.385
ALP-POS-bea7b391-1
0.385
VLA-UCB-eb340134-4
0.380
ERI-UCB-a0b0dbcb-1
0.379
DAR-DIA-53551c05-20
0.378
ERI-UCB-d6de1f3c-3
0.377
ALP-POS-3fc1724e-4
0.376
MAR-UCB-d1255a91-1
0.373
JAN-GHE-82a280f8-1
0.373
VLA-UCB-eb340134-1
0.369
MAT-POS-54c4bf04-1
0.366
VLA-UCB-eb340134-3
0.362
MAR-UCB-d1255a91-2
0.358
NAU-LAT-56d5284e-7
0.356
VLA-UCB-eb340134-2
0.349
NAU-LAT-56d5284e-1
0.347
KRI-MAR-d2e3ef86-12
0.347
DAR-DIA-53551c05-17
0.346
NAU-LAT-56d5284e-4
0.333
NAU-LAT-56d5284e-6
0.333
JAN-GHE-82a280f8-2
0.324
ALP-UNI-ed5cdfd2-4
0.320
KRI-MAR-d2e3ef86-15
0.317
BEN-DND-7e92b6ca-5
0.316
DAR-DIA-53551c05-15
0.315
MAT-UCB-70f7c0f7-1
0.312
ADA-UCB-b1b30a00-1
0.311
MAT-UCB-70f7c0f7-2
0.310
DAR-DIA-53551c05-21
0.306
BEN-DND-7e92b6ca-4
0.306
BEN-DND-7e92b6ca-3
0.304
DAR-DIA-8e329c92-10
0.302
MAT-UCB-70f7c0f7-4
0.302
NAU-LAT-b7d8c353-3
0.300
VLA-UCB-05e51b3f-18
0.300
VLA-UCB-50c39ae8-11
0.300
JAG-UCB-c61058a9-45
0.300
FRA-DIA-e29753f2-1
0.300
BEN-DND-b89db3f2-1
0.300
JAN-GHE-82a280f8-3
0.300
BEN-DND-7e92b6ca-2
0.295
DAR-DIA-8e329c92-5
0.295
DAR-DIA-8e329c92-8
0.294
DAR-DIA-8e329c92-4
0.294
ALP-UNI-ed5cdfd2-5
0.292
ALP-UNI-ed5cdfd2-7
0.291
DAR-DIA-8e329c92-9
0.288
BEN-DND-b89db3f2-5
0.288
EDJ-MED-edeb0d3a-1
0.288
MAT-UCB-70f7c0f7-3
0.288
ADA-UCB-b1b30a00-2
0.288
DAR-DIA-8e329c92-7
0.284
MAT-POS-916a2c5a-2
0.283
MAT-POS-590ac91e-54
0.282
MAT-POS-590ac91e-70
0.282
DAR-DIA-8e329c92-11
0.282