Molecular Properties | |
SMILES: | Cc1ccncc1C(C(=O)Nc1ccc(F)cc1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 |
MW: | 485.21 |
Fraction sp3: | 0.21 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 75.44 |
cLogP: | 6.45 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALF-EVA-46063d6e-4
0.653
ALF-EVA-46063d6e-3
0.650
PAU-WEI-df8f33bc-2
0.646
ALP-POS-02c6a514-44
0.646
ALF-EVA-46063d6e-7
0.633
ALF-EVA-46063d6e-5
0.629
ALF-EVA-46063d6e-6
0.606
ALP-POS-02c6a514-56
0.561
ALF-EVA-46063d6e-2
0.514
ALP-POS-c59291d4-6
0.505
MIC-UNK-9ffaa625-1
0.504
ALF-EVA-46063d6e-1
0.500
LON-WEI-adc59df6-41
0.500
MIC-UNK-9ffaa625-2
0.491
DAR-DIA-48c639f7-1
0.491
CHE-UNK-ae827f53-1
0.487
DAR-DIA-48c639f7-2
0.487
DAR-DIA-48c639f7-6
0.483
DAR-DIA-48c639f7-8
0.482
ALF-EVA-719172df-3
0.482
DAR-DIA-48c639f7-7
0.478
ALF-EVA-719172df-7
0.477
ALF-EVA-719172df-2
0.473
MAT-POS-f2460aef-1
0.472
MAT-POS-f2460aef-2
0.472
LON-WEI-2e27a2e5-1
0.472
ALP-POS-02c6a514-54
0.471
DAR-DIA-48c639f7-3
0.471
ALP-POS-02c6a514-53
0.471
DAR-DIA-48c639f7-4
0.470
DAR-DIA-48c639f7-17
0.468
DAR-DIA-48c639f7-5
0.466
ALP-POS-02c6a514-13
0.465
ALF-EVA-719172df-5
0.465
ALP-POS-d0876c20-1
0.465
DAR-DIA-48c639f7-15
0.464
ALP-POS-02c6a514-57
0.462
ALF-EVA-719172df-1
0.461
DAR-DIA-48c639f7-9
0.459
MIC-UNK-96659df2-3
0.458
DAR-DIA-48c639f7-10
0.455
LON-WEI-adc59df6-61
0.454
DAR-DIA-48c639f7-11
0.451
MIC-UNK-96659df2-2
0.447
DAR-DIA-2b784ede-37
0.444
DAR-DIA-2b784ede-40
0.444
PAU-WEI-df8f33bc-1
0.441
ALP-POS-02c6a514-32
0.441
DAR-DIA-2b784ede-39
0.440
MIC-UNK-96659df2-1
0.440
MIC-UNK-96659df2-4
0.439
MIC-UNK-7c90192e-1
0.438
DAR-DIA-2b784ede-41
0.438
MIC-UNK-7c90192e-2
0.433
DAR-DIA-2b784ede-38
0.431
ALP-POS-0c0a3b93-1
0.430
DAR-DIA-48c639f7-16
0.427
DAR-DIA-48c639f7-12
0.427
DAR-DIA-48c639f7-18
0.427
MAT-POS-02ae579f-1
0.426
ALP-POS-02c6a514-55
0.425
ALP-POS-02c6a514-19
0.414
ALP-POS-780445ae-1
0.410
ALP-POS-a2344586-1
0.408
DAR-DIA-48c639f7-14
0.403
ALP-POS-02c6a514-34
0.402
ALF-EVA-719172df-4
0.398
DAR-DIA-48c639f7-13
0.397
PET-UNK-48ab5cd7-6
0.395
ALP-POS-02c6a514-9
0.392
ALP-POS-02c6a514-48
0.392
LON-WEI-d1c9908a-7
0.385
LON-WEI-adc59df6-46
0.378
ALP-POS-305f6ec3-49
0.376
ALP-POS-02c6a514-31
0.374
ALF-EVA-719172df-6
0.365
ALP-POS-02c6a514-12
0.364
ALP-POS-88a7a97e-41
0.364
LON-WEI-adc59df6-13
0.364
LON-WEI-adc59df6-23
0.363
ALP-POS-02c6a514-38
0.362
ALP-POS-b0bc6a46-23
0.362
ALP-POS-305f6ec3-44
0.361
LON-WEI-b8d98729-33
0.360
ALP-POS-95f71980-21
0.359
ALP-POS-84f19ead-3
0.358
RAL-MED-9a5eb9cb-1
0.357
LON-WEI-adc59df6-16
0.357
ALP-POS-b0bc6a46-22
0.356
ALP-POS-02c6a514-37
0.356
DAR-DIA-2b784ede-4
0.356
CHE-UNK-ae827f53-2
0.353
ALP-POS-95f71980-4
0.353
ALP-POS-02c6a514-39
0.353
ALP-POS-02c6a514-52
0.353
ALP-POS-b0bc6a46-24
0.353
DAR-DIA-2b784ede-6
0.352
ALP-POS-88a7a97e-1
0.352
DAR-DIA-2b784ede-54
0.352
LON-WEI-b8d98729-35
0.351