Molecular Properties | |
SMILES: | O=C(NC1CN(c2cccc(Cl)c2)C1)c1cc(=O)[nH]c2ccccc12 |
MW: | 353.09 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 65.2 |
cLogP: | 2.8 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ERI-UCB-a0b0dbcb-2
NAU-LAT-56d5284e-4
0.753
NAU-LAT-56d5284e-6
0.667
NAU-LAT-56d5284e-1
0.598
ERI-UCB-a0b0dbcb-2
0.548
NAU-LAT-56d5284e-5
0.535
JAN-GHE-82a280f8-1
0.517
NAU-LAT-a5c7d7cb-7
0.483
ALP-POS-bea7b391-1
0.479
MAT-POS-54c4bf04-4
0.473
ERI-UCB-d6de1f3c-1
0.473
NAU-LAT-56d5284e-8
0.473
ERI-UCB-d6de1f3c-8
0.468
VLA-UCB-eb340134-4
0.462
NAU-LAT-56d5284e-2
0.451
NAU-LAT-56d5284e-3
0.447
KRI-MAR-d2e3ef86-12
0.440
KRI-MAR-d2e3ef86-15
0.435
MAT-UCB-70f7c0f7-4
0.430
ALP-POS-05819dc4-1
0.427
ERI-UCB-a0b0dbcb-12
0.426
BEN-DND-7e92b6ca-15
0.424
ERI-UCB-d6de1f3c-4
0.417
VLA-UCB-eb340134-1
0.417
MAR-UCB-d1255a91-2
0.416
BEN-DND-7e92b6ca-4
0.414
BEN-DND-7e92b6ca-5
0.409
ALP-UNI-ed5cdfd2-4
0.409
VLA-UCB-eb340134-3
0.408
MAT-UCB-70f7c0f7-3
0.408
ADA-UCB-b1b30a00-2
0.408
JAN-GHE-82a280f8-2
0.408
ERI-UCB-d6de1f3c-3
0.407
MAR-UCB-d1255a91-1
0.404
DAR-DIA-8e329c92-9
0.402
ERI-UCB-a0b0dbcb-3
0.400
BEN-DND-7e92b6ca-12
0.400
MAR-UCB-f313ec4d-5
0.400
ERI-UCB-a0b0dbcb-1
0.398
EDJ-MED-d1cd9639-1
0.398
ALP-POS-3fc1724e-1
0.398
ERI-UCB-a0b0dbcb-4
0.396
ADA-UCB-b1b30a00-1
0.396
ERI-UCB-ce40166b-17
0.394
ALP-POS-3fc1724e-2
0.394
VLA-UCB-eb340134-2
0.394
JAN-GHE-82a280f8-3
0.394
EDJ-MED-78f964c8-1
0.393
MAT-POS-916a2c5a-4
0.393
BEN-DND-7e92b6ca-3
0.391
DAR-DIA-53551c05-17
0.390
ERI-UCB-ce40166b-13
0.388
MAT-POS-54c4bf04-1
0.385
ERI-UCB-ce40166b-14
0.385
ERI-UCB-ce40166b-18
0.383
MAK-UNK-df1a028e-3
0.383
MAT-POS-916a2c5a-2
0.379
ERI-UCB-ce40166b-21
0.379
MAT-UCB-70f7c0f7-1
0.379
ALP-UNI-ed5cdfd2-7
0.376
ALP-UNI-ed5cdfd2-5
0.375
ALP-UNI-ed5cdfd2-8
0.375
MAR-UCB-f313ec4d-4
0.375
ERI-UCB-ce40166b-19
0.374
DAR-DIA-8e329c92-4
0.374
ERI-UCB-ce40166b-16
0.371
DAR-DIA-8e329c92-10
0.371
ERI-UCB-ce40166b-20
0.370
BEN-DND-7e92b6ca-14
0.370
BEN-DND-7e92b6ca-13
0.365
MAT-POS-3b536971-2
0.364
DAR-DIA-8e329c92-6
0.364
MAT-POS-e1b5ac6b-1
0.363
ROB-UNI-daaf9793-1
0.363
ERI-UCB-ce40166b-15
0.362
MAT-UCB-70f7c0f7-2
0.361
ALP-POS-ddb41b15-1
0.361
DAR-DIA-8e329c92-11
0.360
ERI-UCB-a0b0dbcb-8
0.360
BEN-DND-7e92b6ca-6
0.360
DAR-DIA-8e329c92-5
0.359
ALP-POS-ddb41b15-3
0.358
DAR-DIA-8e329c92-7
0.358
ERI-UCB-a0b0dbcb-10
0.356
ALP-UNI-ed5cdfd2-6
0.354
DAR-DIA-8e329c92-12
0.352
BEN-DND-7e92b6ca-10
0.351
KRI-MAR-d2e3ef86-5
0.351
BEN-DND-7e92b6ca-16
0.351
BEN-DND-7e92b6ca-11
0.351
ERI-UCB-a0b0dbcb-9
0.351
KRI-MAR-d2e3ef86-13
0.351
ALP-POS-ddb41b15-2
0.349
DAR-DIA-53551c05-22
0.348
KRI-MAR-d2e3ef86-7
0.347
BEN-DND-7e92b6ca-9
0.347
ALP-POS-fc6c627f-3
0.346
MIC-UNK-c5a20098-1
0.344
MIC-UNK-c5a20098-2
0.343
ERI-UCB-a0b0dbcb-6
0.343
ERI-UCB-a0b0dbcb-5
0.343