Molecular Properties | |
SMILES: | Cc1cc(CN(C(=O)Cc2cccc(Cl)c2)C(=O)NC2CC2)no1 |
MW: | 347.1 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 75.44 |
cLogP: | 3.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter93_acetyl_urea
TRY-UNI-9f475305-6
0.696
TRY-UNI-9f475305-8
0.617
AAR-POS-d2a4d1df-9
0.453
IFT-SAT-023cfffe-5
0.406
PET-UNK-f92d7c0c-4
0.400
PET-UNK-f92d7c0c-5
0.400
PET-UNK-f92d7c0c-3
0.398
IFT-SAT-023cfffe-2
0.396
MIC-SGC-657978c3-1
0.391
EDG-MED-0da5ad92-1
0.388
JAN-GHE-83b26c96-15
0.388
PET-UNK-f92d7c0c-7
0.384
PET-UNK-bbe8d7ff-1
0.378
ALP-POS-8b8a49e1-7
0.370
PET-UNK-f92d7c0c-1
0.369
PET-UNK-f92d7c0c-6
0.369
EDG-MED-0da5ad92-12
0.369
VLA-UNK-4cf5aa07-2
0.368
ALP-POS-8b8a49e1-5
0.361
MIC-UNK-42806bd5-2
0.361
ALP-POS-90e38439-3
0.361
ALP-POS-8b8a49e1-8
0.360
BAR-COM-ebf5acce-12
0.360
MIC-UNK-67d4a29a-1
0.359
JOH-UNI-a38a7bdd-9
0.354
SIM-SYN-7db9eb24-2
0.354
BAR-COM-ebf5acce-9
0.354
DAR-DIA-6a508060-16
0.353
MIC-UNK-13557a72-1
0.353
JAN-GHE-83b26c96-16
0.352
EDJ-MED-a364e151-3
0.352
MIC-UNK-67d4a29a-3
0.351
BAR-COM-ebf5acce-13
0.350
MAT-POS-500ca5bf-2
0.349
ALP-POS-90e38439-2
0.349
MIC-UNK-42806bd5-1
0.349
PET-UNK-8df914d1-5
0.348
PET-UNK-bbe8d7ff-2
0.348
JAN-GHE-d851b096-1
0.347
BAR-COM-ebf5acce-1
0.347
SIM-SYN-3099a863-1
0.347
MAT-POS-90fd5f68-26
0.347
BAR-COM-ebf5acce-7
0.347
MIC-UNK-fc94cdb5-1
0.345
RUB-POS-1325a9ea-24
0.344
MAT-POS-bb423b95-7
0.344
DAR-DIA-076fb6ea-2
0.344
DAR-DIA-56cf811e-2
0.344
DAR-DIA-076fb6ea-16
0.344
JOH-UNI-a38a7bdd-4
0.344
JOH-UNI-a38a7bdd-3
0.344
DAR-DIA-076fb6ea-7
0.344
MAT-POS-0bc33984-1
0.341
BAR-COM-ebf5acce-6
0.340
JOH-UNI-ee5ed7c8-5
0.340
JOH-UNI-3fc3434e-5
0.340
JOH-UNI-a38a7bdd-8
0.340
JOH-UNI-a38a7bdd-7
0.340
MAK-UNK-987948f6-1
0.340
EDG-MED-0da5ad92-14
0.337
EDJ-MED-49816e9b-3
0.337
JOH-UNI-50ce7ec3-6
0.337
BAR-COM-ebf5acce-5
0.337
BAR-COM-ebf5acce-8
0.337
MAT-POS-90fd5f68-8
0.337
MIC-UNK-d935700b-1
0.333
EDG-MED-0da5ad92-15
0.333
MIC-UNK-67d4a29a-2
0.333
BAR-COM-ebf5acce-3
0.333
BAR-COM-ebf5acce-4
0.333
RAF-SAT-b3ff87a1-1
0.333
PET-UNK-8df914d1-3
0.333
FRA-DIA-3f9ae552-2
0.330
DAR-DIA-076fb6ea-10
0.330
VLA-UCB-05e51b3f-3
0.330
BAR-COM-ebf5acce-11
0.330
DAR-DIA-076fb6ea-4
0.330
MIC-UNK-67d4a29a-4
0.330
DAR-DIA-076fb6ea-6
0.330
PET-UNK-f92d7c0c-9
0.330
BAR-COM-ebf5acce-15
0.330
EDJ-MED-a364e151-2
0.330
JAN-GHE-f4ca5a00-17
0.330
JIN-POS-6dc588a4-8
0.330
MIC-UNK-8373f97b-5
0.330
ABI-SAT-4d06482b-2
0.330
MIC-UNK-4c7b8ba7-1
0.330
JAN-GHE-5a013bed-1
0.329
FRA-DIA-3f9ae552-1
0.327
BAR-COM-ebf5acce-14
0.327
JOH-UNI-3fc3434e-13
0.327
JOH-UNI-ee5ed7c8-13
0.327
JIN-POS-6dc588a4-2
0.326
ROB-UNI-daaf9793-4
0.326
MIC-UNK-8373f97b-4
0.326
TRY-UNI-714a760b-3
0.326
EDG-MED-0da5ad92-16
0.326
EDJ-MED-49816e9b-2
0.326
VLA-UNK-411a133b-1
0.326
EDG-MED-0da5ad92-21
0.326