Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)N(C(=O)c1cc(=O)[nH]c2ccccc12)c1cc(Cl)cc(N(C)C)c1 |
MW: | 475.14 |
Fraction sp3: | 0.12 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 98.4 |
cLogP: | 4.83 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-07-12 |
Synthesis Location: | wuxi |
Shipped: | synthesis in progress |
Filter93_acetyl_urea
ALP-POS-ddb41b15-2
0.772
ALP-POS-ddb41b15-1
0.482
ALP-POS-ddb41b15-3
0.416
EDG-MED-0da5ad92-3
0.396
SAM-UNK-2684b532-2
0.382
EDG-MED-0da5ad92-19
0.381
MAR-UCB-ad2ff052-1
0.378
EDG-MED-0da5ad92-20
0.370
MAR-UCB-ad2ff052-2
0.368
MAR-UCB-ad2ff052-3
0.361
DAR-DIA-1d7f034a-1
0.361
GAB-REV-70cc3ca5-7
0.358
JAN-GHE-82a280f8-2
0.351
EDJ-MED-edeb0d3a-1
0.351
JAN-GHE-82a280f8-3
0.351
BEN-DND-b89db3f2-5
0.351
JAN-GHE-83b26c96-10
0.350
ALP-POS-ddb41b15-4
0.347
BEN-DND-7e92b6ca-3
0.346
MAT-POS-136e7878-1
0.345
ALP-POS-fc6c627f-3
0.345
MAT-POS-173a45da-2
0.344
MAT-POS-136e7878-2
0.342
GAB-REV-70cc3ca5-17
0.336
BEN-DND-7e92b6ca-2
0.336
MAT-UCB-93f6aed8-1
0.336
NAU-LAT-3f5f3993-1
0.333
ALP-POS-ddb41b15-5
0.333
SAM-UNK-2684b532-4
0.333
BEN-DND-7e92b6ca-5
0.333
ERI-UCB-ce40166b-20
0.333
MAT-POS-53907a1c-2
0.331
GAB-REV-70cc3ca5-16
0.328
RAL-THA-6b94ceba-5
0.327
TRY-UNI-2eddb1ff-3
0.327
MAT-UCB-93f6aed8-2
0.325
NAU-LAT-a5c7d7cb-7
0.321
RAL-THA-6b94ceba-8
0.321
MAT-POS-f42f3716-8
0.319
GAB-REV-70cc3ca5-9
0.318
JAN-GHE-83b26c96-9
0.317
MAK-UNK-6ca90168-24
0.317
TRY-UNI-714a760b-6
0.317
ERI-UCB-d6de1f3c-8
0.316
MAK-UNK-f203cb68-16
0.315
SAM-UNK-2684b532-1
0.315
CHO-MSK-6e55470f-20
0.315
JAN-GHE-83b26c96-20
0.314
EDG-MED-0da5ad92-11
0.314
DAR-DIA-23e5a6a0-27
0.314
BEN-DND-7e92b6ca-4
0.311
NAU-LAT-30527ac5-5
0.311
NAU-LAT-0543f7f2-3
0.311
ENA-ENA-cf881d10-1
0.310
RAL-THA-6b94ceba-10
0.310
NAU-LAT-0543f7f2-4
0.308
MAT-UCB-70f7c0f7-5
0.308
ALP-POS-05819dc4-1
0.308
GAB-REV-70cc3ca5-6
0.308
EDG-MED-0da5ad92-8
0.307
JAG-UCB-cedd89ab-8
0.307
TRY-UNI-2eddb1ff-2
0.307
TRY-UNI-714a760b-12
0.307
RAL-THA-6b94ceba-9
0.306
DAR-DIA-8e329c92-9
0.306
RAL-THA-6b94ceba-13
0.306
BAR-COM-0f94fc3d-25
0.306
ERI-UCB-5b47150d-4
0.305
MAT-POS-6c3d76b3-1
0.305
MAT-POS-0d6fb2dd-1
0.305
ALP-POS-f13221e1-4
0.305
ALP-POS-3fc1724e-6
0.305
ERI-UCB-d6de1f3c-1
0.304
NAU-LAT-56d5284e-8
0.304
EDG-MED-0da5ad92-6
0.304
RAL-THA-6b94ceba-11
0.304
ERI-UCB-a0b0dbcb-2
0.304
AHN-SAT-202241f6-1
0.303
TRY-UNI-714a760b-17
0.303
RAL-THA-6b94ceba-15
0.303
TRY-UNI-714a760b-20
0.302
NAU-LAT-56d5284e-6
0.302
JAN-GHE-82a280f8-1
0.302
TRY-UNI-2eddb1ff-7
0.302
WIL-MOD-03b86a88-1
0.302
TRY-UNI-2eddb1ff-8
0.302
CHO-MSK-6e55470f-6
0.302
MAT-POS-916a2c5a-2
0.301
ERI-UCB-ce40166b-16
0.301
MIC-UNK-ea979c74-4
0.301
MAK-UNK-f203cb68-15
0.300
RAL-THA-6b94ceba-16
0.300
WIL-MOD-03b86a88-3
0.300
WIL-MOD-03b86a88-5
0.300
RAL-THA-6b94ceba-12
0.300
RAL-THA-6b94ceba-14
0.300
GAB-REV-70cc3ca5-19
0.300
VLA-UCB-eb340134-1
0.299
NAU-LAT-56d5284e-3
0.299
DAR-DIA-8e329c92-4
0.299