Molecular Properties | |
SMILES: | C=CC(=O)c1c(NCC(=O)NCCc2cccc(F)c2)ccc2cc[nH]c12 |
MW: | 365.15 |
Fraction sp3: | 0.14 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 8 |
TPSA: | 73.99 |
cLogP: | 3.45 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter44_michael_acceptor2
Ketone
anthranil_one_A(38)
CHE-UNK-35529387-2
0.560
WAL-WAB-df110a02-1
0.327
LON-WEI-babf2c61-2
0.319
LON-WEI-babf2c61-4
0.316
CHE-UNK-ae827f53-1
0.315
MAT-POS-c0143b99-1
0.310
LON-WEI-babf2c61-1
0.310
LON-WEI-adc59df6-47
0.307
LON-POS-586a7c45-1
0.307
PAU-WEI-5b8d5051-1
0.307
LON-WEI-babf2c61-6
0.304
ALP-POS-780445ae-3
0.304
ALF-EVA-719172df-5
0.303
ALF-EVA-46063d6e-2
0.302
ALP-POS-e980f4ea-7
0.301
LON-WEI-babf2c61-3
0.300
LON-WEI-babf2c61-10
0.299
LON-WEI-babf2c61-13
0.299
LON-WEI-babf2c61-8
0.299
BRU-THA-92256091-11
0.298
LON-WEI-babf2c61-5
0.297
LON-WEI-babf2c61-12
0.297
CHE-UNK-ae827f53-2
0.296
ALP-POS-305f6ec3-33
0.295
LON-WEI-babf2c61-9
0.293
ALP-POS-02c6a514-13
0.293
PAU-WEI-df8f33bc-2
0.292
ALP-POS-02c6a514-20
0.292
LON-WEI-babf2c61-11
0.292
ALP-POS-02c6a514-44
0.292
ALP-POS-b0bc6a46-12
0.292
ALP-POS-02c6a514-46
0.292
BRU-THA-92256091-59
0.291
MIC-UNK-7c90192e-2
0.291
KHR-WEI-75c61062-1
0.291
ALP-POS-d0876c20-7
0.290
ALP-POS-e980f4ea-67
0.289
ALF-EVA-719172df-7
0.289
DAR-DIA-48c639f7-15
0.289
DAR-DIA-2b784ede-54
0.289
ALP-POS-a2344586-1
0.288
ALP-POS-d0876c20-9
0.288
ALP-POS-305f6ec3-52
0.287
ALF-EVA-719172df-4
0.287
ALF-EVA-46063d6e-1
0.287
WIL-UNI-354943b6-10
0.287
LON-WEI-babf2c61-7
0.287
MIC-UNK-7c90192e-1
0.287
ALP-POS-e980f4ea-38
0.286
PAU-WEI-df8f33bc-1
0.286
DAR-DIA-48c639f7-7
0.286
ALP-POS-02c6a514-32
0.286
ALP-POS-e980f4ea-28
0.284
ALP-POS-e980f4ea-9
0.283
ALP-POS-e980f4ea-19
0.283
DAR-DIA-48c639f7-18
0.282
LON-WEI-babf2c61-14
0.282
ALP-POS-ced8ea4d-7
0.282
KHR-WEI-75c61062-2
0.282
NAU-LAT-64f4b287-7
0.281
ALP-POS-305f6ec3-6
0.281
ALP-POS-95f71980-22
0.281
MAT-POS-f2460aef-3
0.281
ALP-POS-02c6a514-49
0.281
MAT-POS-02ae579f-1
0.281
ALF-EVA-719172df-1
0.280
ALP-POS-e980f4ea-27
0.280
BRU-THA-92256091-8
0.280
ALP-POS-02c6a514-26
0.280
BRU-THA-92256091-64
0.279
ALP-POS-a2344586-3
0.279
BRU-THA-92256091-15
0.279
DAR-DIA-48c639f7-11
0.279
BRU-THA-92256091-19
0.279
ALP-POS-e980f4ea-52
0.279
ALP-POS-305f6ec3-2
0.279
ALP-POS-95f71980-23
0.279
ALP-POS-02c6a514-19
0.279
ALP-POS-e980f4ea-34
0.278
ALP-POS-305f6ec3-17
0.278
DAR-DIA-48c639f7-8
0.278
ALP-POS-d0876c20-17
0.277
PET-UNK-7d68125a-2
0.277
ALP-POS-ced8ea4d-38
0.277
ALP-POS-02c6a514-10
0.277
ALP-POS-e980f4ea-49
0.276
BRU-THA-92256091-18
0.276
ALF-EVA-719172df-2
0.276
ALP-POS-e980f4ea-5
0.276
ALP-POS-e980f4ea-16
0.276
WIL-UNI-354943b6-9
0.276
BRU-THA-92256091-24
0.275
ALP-POS-305f6ec3-59
0.275
ALP-POS-1245c3fa-1
0.275
ALP-POS-02c6a514-12
0.275
ALP-POS-02c6a514-52
0.275
BRU-THA-92256091-31
0.274
ALP-POS-e980f4ea-58
0.274
ALP-POS-b0bc6a46-25
0.274
BRU-THA-92256091-23
0.274