Molecular Properties | |
SMILES: | COc1ccccc1NC1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)C1 |
MW: | 363.16 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 74.43 |
cLogP: | 2.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-916a2c5a-4
ERI-UCB-a0b0dbcb-8
0.790
ERI-UCB-a0b0dbcb-6
0.604
ERI-UCB-a0b0dbcb-9
0.591
BEN-DND-7e92b6ca-13
0.538
NAU-LAT-56d5284e-3
0.495
NAU-LAT-56d5284e-8
0.490
EDJ-MED-d1cd9639-1
0.475
KRI-MAR-d2e3ef86-13
0.474
BEN-DND-7e92b6ca-11
0.474
MAR-UCB-f313ec4d-4
0.469
MAR-UCB-f313ec4d-5
0.464
BEN-DND-7e92b6ca-12
0.464
BEN-DND-7e92b6ca-6
0.461
MAT-POS-54c4bf04-4
0.460
ERI-UCB-a0b0dbcb-11
0.455
ALP-POS-3fc1724e-4
0.453
BEN-DND-7e92b6ca-14
0.452
BEN-DND-7e92b6ca-16
0.447
KRI-MAR-d2e3ef86-5
0.447
BEN-DND-7e92b6ca-10
0.447
MAT-POS-916a2c5a-4
0.446
EDJ-MED-78f964c8-1
0.446
KRI-MAR-d2e3ef86-6
0.440
NAU-LAT-56d5284e-2
0.439
ERI-UCB-ce40166b-21
0.438
ERI-UCB-a0b0dbcb-7
0.438
BEN-DND-7e92b6ca-7
0.438
MAT-UCB-70f7c0f7-4
0.434
MAK-UNK-df1a028e-3
0.433
ERI-UCB-a0b0dbcb-2
0.433
BEN-DND-7e92b6ca-15
0.429
KRI-MAR-d2e3ef86-7
0.424
BEN-DND-7e92b6ca-9
0.424
DAR-DIA-8e329c92-4
0.422
ERI-UCB-a0b0dbcb-3
0.420
ALP-POS-3fc1724e-3
0.420
ERI-UCB-a0b0dbcb-10
0.417
ERI-UCB-a0b0dbcb-1
0.417
ERI-UCB-a0b0dbcb-4
0.416
KRI-MAR-d2e3ef86-4
0.416
MAT-POS-916a2c5a-3
0.416
ERI-UCB-a0b0dbcb-12
0.416
MAT-UCB-70f7c0f7-3
0.413
ADA-UCB-b1b30a00-2
0.413
ERI-UCB-a0b0dbcb-14
0.412
DAR-DIA-8e329c92-5
0.406
ERI-UCB-d6de1f3c-1
0.402
MAT-POS-916a2c5a-2
0.400
ERI-UCB-a0b0dbcb-13
0.400
ERI-UCB-d6de1f3c-8
0.400
MAT-POS-590ac91e-54
0.400
DAR-DIA-8e329c92-6
0.398
DAR-DIA-8e329c92-7
0.391
BEN-DND-7e92b6ca-2
0.386
MAT-POS-590ac91e-48
0.385
MAK-UNK-df1a028e-2
0.383
NAU-LAT-56d5284e-5
0.382
MAT-POS-590ac91e-49
0.382
VLA-UCB-eb340134-4
0.379
DAR-DIA-8e329c92-8
0.374
VLA-UCB-eb340134-1
0.368
DAR-DIA-8e329c92-10
0.365
ALP-POS-05819dc4-1
0.364
ERI-UCB-d6de1f3c-3
0.364
MAT-POS-590ac91e-44
0.364
ERI-UCB-d6de1f3c-4
0.361
VLA-UCB-eb340134-3
0.361
KRI-MAR-d2e3ef86-12
0.359
NAU-LAT-56d5284e-4
0.358
DAR-DIA-53551c05-22
0.357
ALP-POS-3fc1724e-1
0.352
MAT-POS-590ac91e-45
0.351
DAR-DIA-53551c05-20
0.350
BEN-DND-b89db3f2-5
0.349
EDJ-MED-edeb0d3a-1
0.349
VLA-UCB-eb340134-2
0.349
JAN-GHE-82a280f8-1
0.346
NAU-LAT-56d5284e-7
0.343
KRI-MAR-d2e3ef86-15
0.343
ALP-POS-fc6c627f-3
0.342
MAT-POS-54c4bf04-1
0.340
MAR-UCB-d1255a91-1
0.336
BEN-DND-7e92b6ca-4
0.333
MAR-UCB-d1255a91-2
0.333
ERI-UCB-ce40166b-13
0.333
NAU-LAT-56d5284e-1
0.333
NAU-LAT-56d5284e-6
0.333
ALP-UNI-ed5cdfd2-4
0.333
ERI-UCB-ce40166b-14
0.330
BEN-DND-7e92b6ca-3
0.330
ALP-UNI-ed5cdfd2-7
0.330
BEN-DND-7e92b6ca-5
0.330
DAR-DIA-8e329c92-9
0.327
JAN-GHE-82a280f8-3
0.324
ADA-UCB-b1b30a00-1
0.324
ALP-POS-bea7b391-1
0.321
MAR-UCB-f313ec4d-1
0.321
ERI-UCB-ce40166b-18
0.319
ALP-UNI-ed5cdfd2-5
0.318
ALP-POS-3fc1724e-2
0.316