Molecular Properties | |
SMILES: | Cc1ccncc1C(C(=O)NCCc1cccc(F)c1)N(C(=O)/C=C/CN1CCCC1)c1ccc(C(C)(C)C)cc1 |
MW: | 556.32 |
Fraction sp3: | 0.38 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 10 |
TPSA: | 65.54 |
cLogP: | 5.91 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated double bonds (2)
Long aliphatic chain
vinyl michael acceptor1
MAT-POS-f2460aef-1
DAR-DIA-48c639f7-13
0.959
DAR-DIA-48c639f7-12
0.777
DAR-DIA-48c639f7-15
0.748
DAR-DIA-48c639f7-16
0.726
DAR-DIA-48c639f7-18
0.726
DAR-DIA-48c639f7-11
0.698
DAR-DIA-48c639f7-9
0.667
DAR-DIA-48c639f7-10
0.645
PAU-WEI-df8f33bc-2
0.627
ALP-POS-02c6a514-44
0.627
ALP-POS-d0876c20-1
0.619
ALF-EVA-719172df-2
0.616
ALF-EVA-719172df-1
0.614
ALF-EVA-719172df-3
0.611
ALF-EVA-719172df-5
0.605
ALF-EVA-46063d6e-4
0.534
LON-WEI-adc59df6-47
0.531
PAU-WEI-5b8d5051-1
0.531
LON-POS-586a7c45-1
0.531
MIC-UNK-9ffaa625-1
0.525
MIC-UNK-9ffaa625-2
0.524
ALF-EVA-719172df-4
0.521
ALF-EVA-46063d6e-1
0.521
ALF-EVA-46063d6e-3
0.521
DAR-DIA-2b784ede-54
0.512
PET-UNK-7d68125a-4
0.509
MIC-UNK-96659df2-1
0.508
LON-WEI-babf2c61-2
0.504
MIC-UNK-96659df2-3
0.504
LON-WEI-babf2c61-4
0.500
DAR-DIA-48c639f7-1
0.500
ALF-EVA-46063d6e-6
0.500
MIC-UNK-96659df2-4
0.496
CHE-UNK-ae827f53-1
0.496
DAR-DIA-48c639f7-2
0.496
ALF-EVA-46063d6e-2
0.496
DAR-DIA-48c639f7-17
0.492
ALF-EVA-719172df-7
0.488
JOE-NOR-4e4adc6b-1
0.487
ALP-POS-780445ae-3
0.484
PET-UNK-7d68125a-1
0.483
ALP-POS-305f6ec3-44
0.483
ALP-POS-95f71980-21
0.483
ALP-POS-02c6a514-26
0.483
LON-WEI-2e27a2e5-2
0.483
MIC-UNK-96659df2-2
0.481
DAR-DIA-48c639f7-6
0.480
DAR-DIA-48c639f7-4
0.480
DAR-DIA-48c639f7-8
0.480
ALP-UNI-c3ef0aba-3
0.479
ALP-POS-02c6a514-25
0.479
ALP-POS-305f6ec3-6
0.479
ALP-POS-95f71980-2
0.479
LON-WEI-babf2c61-1
0.479
PET-UNK-7d68125a-3
0.479
ALF-EVA-46063d6e-7
0.479
PAU-WEI-5b8d5051-2
0.479
ALP-POS-02c6a514-11
0.479
ALP-POS-305f6ec3-7
0.477
DAR-DIA-48c639f7-7
0.476
ALP-POS-95f71980-4
0.475
ALP-POS-02c6a514-12
0.475
ALP-POS-02c6a514-52
0.475
LON-WEI-babf2c61-9
0.475
ALP-POS-305f6ec3-3
0.472
ALP-POS-305f6ec3-41
0.471
ALP-POS-305f6ec3-46
0.471
ALP-POS-02c6a514-22
0.471
ALP-POS-305f6ec3-27
0.471
LON-WEI-2e27a2e5-1
0.471
MAT-POS-f2460aef-1
0.471
MAT-POS-f2460aef-2
0.471
ALP-POS-305f6ec3-11
0.470
ALP-POS-305f6ec3-9
0.470
DAR-DIA-48c639f7-3
0.469
ALP-POS-305f6ec3-57
0.468
ALP-POS-02c6a514-49
0.467
ALP-POS-305f6ec3-48
0.467
MAT-POS-f2460aef-5
0.467
ALP-POS-02c6a514-50
0.467
MAT-POS-f2460aef-4
0.467
ALP-POS-305f6ec3-55
0.467
ALP-POS-95f71980-17
0.467
PET-UNK-7d68125a-2
0.467
ALP-POS-305f6ec3-36
0.465
DAR-DIA-48c639f7-5
0.465
ALP-POS-02c6a514-17
0.464
ALP-POS-02c6a514-13
0.464
ALP-POS-02c6a514-51
0.464
ALP-POS-305f6ec3-54
0.464
ALP-POS-95f71980-23
0.463
ALP-POS-305f6ec3-56
0.463
LON-WEI-babf2c61-3
0.463
ALP-POS-305f6ec3-2
0.463
ALP-POS-305f6ec3-49
0.463
ALP-POS-305f6ec3-59
0.463
ALP-POS-d0876c20-5
0.463
ALP-POS-305f6ec3-12
0.460
ALP-POS-305f6ec3-52
0.460
ALP-POS-305f6ec3-38
0.460