Molecular Properties | |
SMILES: | C=CC(=O)c1cc(NCC(=O)NCCc2cccc(F)c2)cc2cc[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-35529387-1
0.560
LON-WEI-babf2c61-11
0.325
LON-WEI-babf2c61-10
0.322
LON-WEI-babf2c61-13
0.322
LON-WEI-babf2c61-12
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CHE-UNK-ae827f53-1
0.315
WAL-WAB-df110a02-1
0.314
LON-WEI-babf2c61-1
0.310
MAT-POS-c0143b99-1
0.310
LON-WEI-adc59df6-47
0.307
LON-POS-586a7c45-1
0.307
LON-WEI-babf2c61-2
0.307
PAU-WEI-5b8d5051-1
0.307
LON-WEI-babf2c61-4
0.304
LON-WEI-babf2c61-14
0.303
KHR-WEI-75c61062-1
0.303
LON-WEI-babf2c61-5
0.297
CHE-UNK-ae827f53-2
0.296
ALP-POS-305f6ec3-33
0.295
ALP-POS-e980f4ea-19
0.294
LON-WEI-babf2c61-9
0.293
LON-WEI-babf2c61-6
0.293
ALP-POS-e980f4ea-7
0.289
BRU-THA-92256091-19
0.289
LON-WEI-babf2c61-3
0.289
LON-WEI-babf2c61-8
0.288
ALP-POS-02c6a514-37
0.288
ALP-POS-b0bc6a46-22
0.288
BRU-THA-92256091-11
0.287
ALP-POS-e980f4ea-12
0.287
ALP-POS-780445ae-3
0.283
ALP-POS-e980f4ea-9
0.283
DAR-DIA-48c639f7-16
0.282
BRU-THA-92256091-17
0.282
ALF-EVA-719172df-5
0.282
ALP-POS-02c6a514-51
0.282
KHR-WEI-75c61062-2
0.282
BEN-VAN-ed886787-4
0.282
ALP-POS-305f6ec3-6
0.281
MAT-POS-f2460aef-5
0.281
ALP-POS-02c6a514-46
0.281
MAT-POS-02ae579f-1
0.281
WIL-UNI-354943b6-5
0.280
ALF-EVA-46063d6e-2
0.280
BRU-THA-92256091-15
0.279
ALP-POS-e980f4ea-67
0.279
ALP-POS-e980f4ea-52
0.279
DAR-DIA-48c639f7-15
0.279
ALP-POS-e980f4ea-34
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ALP-POS-e980f4ea-50
0.277
ALP-POS-e980f4ea-51
0.276
BRU-THA-92256091-18
0.276
LON-WEI-babf2c61-7
0.276
BRU-THA-92256091-23
0.274
ALP-POS-e980f4ea-28
0.274
BRU-THA-92256091-12
0.273
BRU-THA-92256091-44
0.273
PET-UNK-48ab5cd7-2
0.273
ALP-POS-02c6a514-48
0.272
BRU-THA-92256091-16
0.272
ALP-POS-e980f4ea-48
0.271
ALP-POS-e980f4ea-64
0.271
PAU-WEI-df8f33bc-2
0.270
ALP-POS-02c6a514-20
0.270
PET-UNK-48ab5cd7-1
0.270
ALP-POS-95f71980-22
0.270
ALP-POS-305f6ec3-14
0.270
ALP-POS-95f71980-9
0.270
ALP-POS-02c6a514-44
0.270
MAT-POS-f2460aef-3
0.270
ALP-UNI-c3ef0aba-3
0.270
ALP-POS-b0bc6a46-12
0.270
ALP-POS-02c6a514-6
0.270
ALP-POS-02c6a514-25
0.270
BEN-DND-93268d01-6
0.270
ALP-POS-d0876c20-7
0.270
ALP-POS-e980f4ea-65
0.269
DAR-DIA-2b784ede-54
0.269
ALP-POS-e980f4ea-27
0.269
BRU-THA-92256091-7
0.269
LON-WEI-2e27a2e5-1
0.269
MAT-POS-f2460aef-1
0.269
MAT-POS-f2460aef-2
0.269
BRU-THA-92256091-8
0.269
ALP-POS-95f71980-21
0.269
DAR-DIA-48c639f7-11
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ALP-POS-305f6ec3-2
0.268
NAU-LAT-64f4b287-7
0.268
BRU-THA-92256091-25
0.268
ALP-POS-d0876c20-2
0.268
ALP-POS-d0876c20-9
0.268
WIL-UNI-354943b6-14
0.268
MIC-UNK-8849923c-1
0.268
MIC-UNK-8686cf1d-2
0.268
BRU-THA-92256091-45
0.267
ALP-POS-e980f4ea-15
0.267
BRU-THA-92256091-43
0.267
BRU-THA-92256091-53
0.267
ALP-POS-02c6a514-10
0.267
ALP-POS-e980f4ea-54
0.267