Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3cc(F)c(N(C)S(C)(=O)=O)cc23)CCOc2ccc(Cl)cc21 |
MW: | 493.09 |
Fraction sp3: | 0.27 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 97.83 |
cLogP: | 3.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-81b485b5-28
PET-UNK-81b485b5-27
PET-UNK-81b485b5-26
PET-UNK-81b485b5-25
PET-UNK-81b485b5-20
PET-UNK-81b485b5-18
PET-UNK-81b485b5-17
PET-UNK-81b485b5-16
PET-UNK-81b485b5-15
PET-UNK-81b485b5-13
PET-UNK-81b485b5-12
PET-UNK-81b485b5-11
PET-UNK-81b485b5-10
PET-UNK-81b485b5-9
PET-UNK-81b485b5-8
PET-UNK-81b485b5-7
PET-UNK-81b485b5-6
PET-UNK-81b485b5-5
PET-UNK-81b485b5-3
PET-UNK-81b485b5-1
PET-UNK-81b485b5-24
PET-UNK-81b485b5-23
PET-UNK-81b485b5-22
PET-UNK-81b485b5-19
PET-UNK-81b485b5-4
PET-UNK-81b485b5-2
PET-UNK-81b485b5-21
PET-UNK-81b485b5-14
PET-UNK-ee8352fa-2
0.817
PET-UNK-a7639856-2
0.745
PET-UNK-a7639856-1
0.720
PET-UNK-b38839dc-19
0.714
PET-UNK-329a9ce9-8
0.679
MAT-POS-ec6d90b7-4
0.673
EDJ-MED-611d11e7-4
0.673
MAT-POS-a5ef2d74-2
0.673
PET-UNK-09a29654-6
0.673
EDJ-MED-611d11e7-1
0.663
MAT-POS-96f51285-2
0.663
PET-UNK-5d7c542f-1
0.653
ALP-POS-6f6ae286-3
0.653
PET-UNK-b38839dc-20
0.647
PET-UNK-ee8352fa-3
0.641
EDG-MED-10fcb19e-2
0.638
EDG-MED-10fcb19e-1
0.638
PET-UNK-ee8352fa-1
0.637
EDJ-MED-1b46f08e-1
0.632
EDG-MED-0e5afe9d-3
0.630
EDJ-MED-d08626de-1
0.630
EDJ-MED-d08626de-2
0.630
PET-UNK-29afea89-2
0.630
ALF-EVA-82cf4849-8
0.629
PET-UNK-5d7c542f-2
0.625
EDG-MED-10fcb19e-3
0.623
EDJ-MED-6bf93aa8-1
0.623
EDJ-MED-611d11e7-7
0.621
PET-UNK-f4e47ebd-19
0.621
MAT-POS-96f51285-1
0.621
MAT-POS-24589f88-1
0.621
ALP-POS-93b3621f-3
0.619
ALP-POS-93b3621f-4
0.619
MIC-UNK-7f86385f-1
0.617
PET-UNK-f4e47ebd-18
0.615
PET-UNK-e9bc7c59-9
0.613
EDJ-MED-611d11e7-10
0.608
PET-UNK-f4e47ebd-17
0.608
MAT-POS-a5ef2d74-3
0.608
ALF-EVA-82cf4849-11
0.607
PET-UNK-e9bc7c59-12
0.607
MIC-UNK-7f86385f-2
0.606
MIC-UNK-7f86385f-3
0.604
MIC-UNK-7f86385f-5
0.598
MIC-UNK-7f86385f-4
0.589
ALF-EVA-82cf4849-13
0.587
MAR-UCB-fd2e172f-31
0.587
EDG-MED-10fcb19e-5
0.582
MAR-UCB-fd2e172f-28
0.579
ALF-EVA-82cf4849-12
0.577
PET-UNK-0df12184-2
0.573
MAR-UCB-fd2e172f-41
0.573
PET-UNK-b38839dc-18
0.573
PET-UNK-c761fc18-1
0.571
MAR-UCB-fd2e172f-43
0.570
MAR-UCB-fd2e172f-13
0.570
PET-UNK-81b485b5-8
0.569
PET-UNK-81b485b5-22
0.569
PET-UNK-c761fc18-5
0.567
PET-UNK-0df12184-5
0.567
MAR-UCB-fd2e172f-24
0.567
PET-UNK-0df12184-1
0.562
JOH-UNI-6e27fddc-1
0.557
ALF-EVA-82cf4849-4
0.557
MAR-UCB-fd2e172f-25
0.552
PET-UNK-0df12184-4
0.552
ALP-POS-5de921e7-1
0.549
PET-UNK-0df12184-3
0.547
MAR-UCB-fd2e172f-20
0.542
JOH-UNI-99d163e5-2
0.538
JOH-UNI-99d163e5-6
0.537
PET-UNK-7bb24635-2
0.536
PET-UNK-81b485b5-11
0.534
PET-UNK-81b485b5-25
0.534
MAR-UCB-fd2e172f-27
0.533
PET-UNK-81b485b5-10
0.526
PET-UNK-81b485b5-24
0.526
EDJ-MED-ee742daa-1
0.524
ALP-POS-e6e0c683-2
0.523
MAR-UCB-fd2e172f-21
0.519
MAR-UCB-fd2e172f-2
0.519
PET-UNK-bcc8fd08-2
0.518
EDJ-MED-93390d0c-3
0.518
MAR-UCB-fd2e172f-40
0.514
EDJ-MED-93390d0c-4
0.513
PET-UNK-3bb57da2-1
0.513
ALP-POS-5de921e7-6
0.510
MAR-UCB-fd2e172f-19
0.509
MAR-UCB-fd2e172f-22
0.509
MAR-UCB-fd2e172f-16
0.509
DAR-DIA-e7614d05-1
0.509
DAR-DIA-e7614d05-2
0.509
ALP-POS-93b3621f-1
0.509
DAR-DIA-e7614d05-3
0.509
JOH-UNI-99d163e5-4
0.509
PET-UNK-03fd2068-7
0.509
ALP-POS-e6e0c683-1
0.505
PET-UNK-3bb57da2-3
0.504
PET-UNK-bcc8fd08-3
0.504
PET-UNK-3bb57da2-2
0.504