Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)N(C(=O)c1cc(=O)[nH]c2ccccc12)c1cccc(Cl)c1 |
MW: | 432.1 |
Fraction sp3: | 0.04 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 95.16 |
cLogP: | 4.76 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-07-12 |
Synthesis Location: | wuxi |
Shipped: | synthesis in progress |
Filter93_acetyl_urea
ALP-POS-ddb41b15-10
0.772
ALP-POS-ddb41b15-1
0.543
EDG-MED-0da5ad92-3
0.478
EDG-MED-0da5ad92-19
0.478
SAM-UNK-2684b532-2
0.474
ALP-POS-ddb41b15-3
0.459
EDG-MED-0da5ad92-20
0.441
ALP-POS-ddb41b15-4
0.421
ALP-POS-fc6c627f-3
0.420
SAM-UNK-2684b532-4
0.413
MAT-POS-136e7878-1
0.411
JAN-GHE-83b26c96-10
0.394
JAN-GHE-82a280f8-2
0.391
JAN-GHE-82a280f8-3
0.391
MAT-UCB-93f6aed8-2
0.386
TRY-UNI-714a760b-6
0.375
MAK-UNK-6ca90168-24
0.375
NAU-LAT-a5c7d7cb-7
0.374
JAN-GHE-83b26c96-9
0.374
BEN-DND-b89db3f2-5
0.366
EDJ-MED-edeb0d3a-1
0.366
ERI-UCB-d6de1f3c-8
0.366
JAG-UCB-cedd89ab-8
0.365
TRY-UNI-714a760b-12
0.365
EDG-MED-0da5ad92-6
0.361
ALP-POS-f13221e1-4
0.360
BAR-COM-0f94fc3d-25
0.359
MAR-UCB-ad2ff052-1
0.357
EDG-MED-0da5ad92-11
0.356
JAN-GHE-83b26c96-20
0.356
SAM-UNK-2684b532-1
0.356
ERI-UCB-a0b0dbcb-2
0.355
ERI-UCB-d6de1f3c-1
0.355
NAU-LAT-56d5284e-8
0.355
EDG-MED-0da5ad92-10
0.354
JAN-GHE-83b26c96-22
0.354
MAK-UNK-f203cb68-18
0.354
NAU-LAT-56d5284e-6
0.351
JAN-GHE-82a280f8-1
0.351
TRY-UNI-714a760b-18
0.350
TRY-UNI-2eddb1ff-5
0.350
JAN-GHE-83b26c96-5
0.350
TRY-UNI-2eddb1ff-4
0.350
JAN-GHE-83b26c96-4
0.350
BAR-COM-0f94fc3d-38
0.350
BEN-DND-7e92b6ca-3
0.349
NAU-LAT-56d5284e-7
0.349
MAK-UNK-f203cb68-9
0.349
NAU-LAT-56d5284e-3
0.348
MAR-UCB-ad2ff052-2
0.348
EDG-MED-0da5ad92-5
0.347
JAN-GHE-83b26c96-23
0.347
MAT-POS-54c4bf04-4
0.345
GAB-REV-70cc3ca5-6
0.345
ALP-POS-05819dc4-1
0.345
ERI-UCB-a0b0dbcb-12
0.342
VLA-UCB-eb340134-2
0.342
VLA-UCB-eb340134-3
0.342
GAB-REV-70cc3ca5-17
0.340
NAU-LAT-56d5284e-1
0.339
MAR-TRE-4b834d9a-26
0.339
NAU-LAT-56d5284e-4
0.339
MAR-UCB-d1255a91-2
0.339
MAT-POS-1e5f28a7-1
0.337
MAT-POS-e1b5ac6b-1
0.337
ROB-UNI-daaf9793-1
0.337
GAB-REV-70cc3ca5-7
0.336
NAU-LAT-3f5f3993-1
0.336
NAU-LAT-56d5284e-2
0.336
NAU-LAT-56d5284e-5
0.336
VLA-UCB-eb340134-1
0.336
MAT-POS-173a45da-2
0.336
ERI-UCB-ce40166b-20
0.336
VLA-UCB-eb340134-4
0.333
MIC-UNK-cdc2493e-19
0.333
DAR-DIA-8e329c92-9
0.333
GAB-REV-70cc3ca5-16
0.330
JAN-GHE-83b26c96-8
0.330
VLA-UCB-34f3ed0c-7
0.328
ALP-POS-bea7b391-1
0.328
BEN-DND-7e92b6ca-2
0.327
VLA-UCB-34f3ed0c-5
0.325
ERI-UCB-ce40166b-16
0.325
ADA-UCB-6c2cb422-9
0.325
MIC-UNK-d36ab305-2
0.325
TRY-UNI-9f475305-3
0.324
SAM-UNK-2684b532-3
0.324
VLA-UCB-05e51b3f-2
0.324
NAU-LAT-a5c7d7cb-3
0.324
KRI-MAR-d2e3ef86-7
0.324
BEN-DND-7e92b6ca-5
0.324
ERI-UCB-d6de1f3c-4
0.323
MIC-UNK-cdc2493e-11
0.322
MAK-UNK-f203cb68-22
0.322
ALP-POS-3fc1724e-1
0.322
SAD-SAT-7d5528d9-7
0.321
DAR-DIA-8e329c92-10
0.321
NAU-LAT-30527ac5-2
0.321
MAK-UNK-f203cb68-3
0.321
GAB-REV-70cc3ca5-9
0.321