Molecular Properties | |
SMILES: | Cc1ccncc1N1C(=O)CCN(c2cccc(Cl)c2)C1=O |
MW: | 315.08 |
Fraction sp3: | 0.19 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 53.51 |
cLogP: | 3.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JAG-UCB-cedd89ab-1
0.632
VLA-UCB-1dbca3b4-13
0.605
PET-UNK-4dc48bbe-2
0.594
VLA-UCB-1dbca3b4-4
0.456
EDJ-MED-e66f2cc5-2
0.455
ADA-UCB-6c2cb422-7
0.444
PET-UNK-7a31b064-3
0.429
PET-UNK-eda34f30-1
0.427
VLA-UCB-00f2c2b3-5
0.425
KIM-UNI-60f168f5-3
0.421
KIM-UNI-60f168f5-4
0.421
PET-UNK-5eca9d1d-2
0.420
KIM-UNI-60f168f5-6
0.416
KIM-UNI-60f168f5-5
0.416
EDJ-MED-e66f2cc5-1
0.415
PET-UNK-7a31b064-4
0.414
KIM-UNI-60f168f5-2
0.406
VLA-UCB-1dbca3b4-3
0.405
PET-UNK-7be94445-2
0.398
VLA-UCB-1dbca3b4-9
0.388
PET-UNK-5eca9d1d-1
0.388
PET-UNK-7be94445-1
0.388
PET-UNK-94460c07-3
0.386
EDJ-MED-49816e9b-4
0.381
EDJ-MED-49816e9b-6
0.373
ADA-UCB-6c2cb422-5
0.364
PET-UNK-94460c07-4
0.360
DAR-DIA-0f7b7cd9-7
0.356
ALP-POS-95b75b4d-11
0.349
DAR-DIA-5d6f1b43-12
0.347
DAR-DIA-b80f1cd7-2
0.347
DAR-DIA-5a24bef0-12
0.341
ADA-UCB-6c2cb422-6
0.337
DAR-DIA-0f7b7cd9-10
0.333
BEN-VAN-5787f7d3-10
0.330
AGN-NEW-63f62ae9-1
0.323
JAN-GHE-83b26c96-18
0.321
MIC-UNK-df342a3f-2
0.320
EDG-MED-0da5ad92-1
0.310
JAN-GHE-83b26c96-15
0.310
BEN-VAN-5787f7d3-11
0.309
SAM-UNK-2684b532-14
0.307
DAR-DIA-2964957d-2
0.306
DAR-DIA-5a24bef0-11
0.305
TRY-UNI-714a760b-12
0.305
JAG-UCB-cedd89ab-8
0.305
IND-SYN-2c708b29-1
0.304
DAR-DIA-53551c05-3
0.302
ERI-UCB-d6de1f3c-2
0.302
TRY-UNI-714a760b-6
0.301
MAK-UNK-9e4a73aa-31
0.301
PET-UNK-b870596d-2
0.301
SAD-SAT-7d5528d9-17
0.300
VLA-UCB-00f2c2b3-3
0.299
BEN-VAN-5787f7d3-6
0.299
EDG-MED-0da5ad92-19
0.298
EDG-MED-0da5ad92-3
0.298
BEN-VAN-5787f7d3-12
0.297
DAR-DIA-0f7b7cd9-6
0.297
MAK-UNK-f203cb68-18
0.294
PET-UNK-b870596d-1
0.293
VLA-UCB-00f2c2b3-4
0.293
JAN-GHE-83b26c96-21
0.293
VLA-UCB-00f2c2b3-6
0.292
SAD-SAT-7d5528d9-7
0.292
VLA-UCB-eb340134-4
0.292
JAN-GHE-83b26c96-25
0.291
PET-UNK-4dc48bbe-7
0.291
VLA-UCB-05e51b3f-3
0.290
MIC-UNK-9582b2c5-3
0.290
BAR-COM-0f94fc3d-25
0.289
PET-UNK-bbe8d7ff-1
0.289
PET-UNK-bbe8d7ff-2
0.289
ALP-POS-f13221e1-4
0.287
DAR-DIA-076fb6ea-6
0.287
DAR-DIA-5a24bef0-14
0.287
DAR-DIA-5a24bef0-16
0.287
DAR-DIA-5a24bef0-15
0.287
DAR-DIA-5d6f1b43-10
0.287
MAR-TRE-4b834d9a-26
0.286
MAK-UNK-6ca90168-24
0.286
JOH-UNI-a38a7bdd-3
0.286
PET-UNK-7a31b064-5
0.286
EDG-MED-0da5ad92-6
0.286
EDJ-MED-49816e9b-1
0.286
DAR-DIA-076fb6ea-16
0.286
DAR-DIA-56cf811e-2
0.286
DOU-UNK-b5326f8f-7
0.285
JOH-UNI-a38a7bdd-9
0.284
DAR-DIA-0f7b7cd9-5
0.284
KIM-UNI-60f168f5-10
0.284
SAD-SAT-7d5528d9-12
0.284
KIM-UNI-60f168f5-9
0.284
JAN-GHE-83b26c96-20
0.284
EDG-MED-0da5ad92-11
0.284
BAR-COM-ebf5acce-13
0.283
SAD-SAT-7d5528d9-18
0.283
PET-UNK-4dc48bbe-5
0.282
NAU-LAT-a5c7d7cb-3
0.281
VLA-UCB-05e51b3f-2
0.281