Molecular Properties | |
SMILES: | Cc1nnc(NC(=O)C2COc3ccc(Cl)cc32)n1C1CC1 |
MW: | 318.09 |
Fraction sp3: | 0.4 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 69.04 |
cLogP: | 2.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3941854504 |
MolPort: | MolPort-044-482-159 |
Order Status | |
Shipped: | 2020-07-08 |
JAG-UCB-c61058a9-1
1.000
JAG-UCB-c61058a9-44
0.737
MIC-UNK-deda7a44-5
0.608
JAG-UCB-c61058a9-18
0.608
NAU-LAT-8502cac5-2
0.608
JAG-UCB-c61058a9-3
0.585
JAG-UCB-c61058a9-5
0.582
JAG-UCB-c61058a9-27
0.542
JAG-UCB-c61058a9-14
0.530
NAU-LAT-8502cac5-6
0.506
LON-WEI-0a73fcb8-4
0.489
JAG-UCB-a3ef7265-3
0.455
JAG-UCB-119787ef-1
0.444
JAG-UCB-a3ef7265-20
0.444
MAT-POS-968e8d9c-1
0.444
NAU-LAT-8502cac5-11
0.444
NAU-LAT-8502cac5-16
0.444
ALF-EVA-a24cc7ce-8
0.441
MAT-POS-f7918075-2
0.440
MAT-POS-bbbbc21a-2
0.440
EDJ-MED-12c115cc-1
0.440
EDJ-MED-12c115cc-2
0.440
RAL-THA-b74298ba-1
0.438
ALF-EVA-a24cc7ce-4
0.436
EDG-MED-fe7487f8-8
0.435
ERI-UCB-b3e6b0c2-15
0.431
JAG-UCB-c61058a9-2
0.430
EDG-MED-4b32601a-1
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EDG-MED-fe7487f8-2
0.430
MAR-UCB-6ab2ec87-5
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RAL-THA-b74298ba-3
0.429
EDG-MED-fe7487f8-9
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ERI-UCB-b3e6b0c2-10
0.427
JAG-UCB-c61058a9-19
0.427
ALF-EVA-a24cc7ce-1
0.426
ERI-UCB-b3e6b0c2-1
0.423
JOH-UNI-d0d90dc1-3
0.419
ERI-UCB-9c7ec71b-4
0.419
MAT-POS-500f4700-1
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RAL-THA-b74298ba-2
0.415
NAU-LAT-8502cac5-15
0.413
JAG-UCB-c61058a9-21
0.413
PET-UNK-158bee2a-7
0.411
MIC-UNK-deda7a44-6
0.411
MAT-POS-7ddaf7de-4
0.409
JAG-UCB-c61058a9-22
0.409
MAT-POS-afb6844f-1
0.409
ROB-UNI-569bc02e-1
0.408
ADA-UCB-b1b30a00-7
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ROB-UNI-569bc02e-7
0.408
NAU-LAT-8502cac5-10
0.407
ERI-UCB-a38d41be-1
0.406
MAT-POS-1f3c8e6f-1
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ERI-UCB-b3e6b0c2-7
0.404
JOH-UNI-16fcdf60-1
0.402
MIC-UNK-deda7a44-7
0.402
MAT-POS-a2421bb6-4
0.396
JAG-UCB-c61058a9-32
0.394
MAT-POS-b5c94171-1
0.394
PET-UNK-3e029fdc-1
0.394
RAL-THA-3d7a794f-1
0.394
TAT-ENA-0e28ea53-1
0.394
MAT-POS-afb6844f-3
0.392
RAL-THA-b74298ba-4
0.392
RAL-THA-3d7a794f-4
0.391
JAN-GHE-299e5c7e-5
0.390
MAT-POS-a3f7f96a-2
0.387
MIK-NEW-7f99bfc4-1
0.385
MAT-POS-afb6844f-2
0.385
RAL-THA-3d7a794f-2
0.385
RAL-THA-f8a0f917-3
0.385
MAT-UCB-70f7c0f7-6
0.384
RAL-THA-04c5403f-2
0.384
PET-UNK-e274cad4-7
0.384
JAN-GHE-f4ca5a00-13
0.383
BRU-CON-c4e3408a-1
0.383
DAR-DIA-6a508060-6
0.383
NAU-LAT-b7d8c353-7
0.383
MAT-POS-b3e365b9-3
0.383
MAT-POS-b3e365b9-4
0.383
JAG-UCB-52b62a6f-14
0.382
ERI-UCB-b3e6b0c2-14
0.380
JAG-UCB-c61058a9-7
0.379
MAT-POS-8293a91a-1
0.379
EDJ-MED-51d3200d-3
0.378
JAG-UCB-c61058a9-28
0.376
PET-UNK-e274cad4-2
0.376
JAN-GHE-299e5c7e-4
0.376
ERI-UCB-b3e6b0c2-6
0.376
MAT-POS-51833a24-4
0.373
MAK-UNK-919546f0-3
0.373
JAG-UCB-52b62a6f-11
0.373
MAK-UNK-f481d203-6
0.373
MAK-UNK-f481d203-5
0.373
JAG-UCB-c61058a9-6
0.372
EDJ-MED-97c1bf5c-3
0.371
RAL-THA-3d7a794f-3
0.371
JAG-UCB-c61058a9-11
0.371
MAT-POS-51833a24-3
0.370
VLA-UCB-53bdeed6-2
0.368