Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3cc(F)c(N(C)C)cc23)CCOc2ccc(Cl)cc21 |
MW: | 429.13 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 63.69 |
cLogP: | 4.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-a7639856-3
0.817
PET-UNK-b38839dc-19
0.769
PET-UNK-a7639856-2
0.745
EDJ-MED-611d11e7-4
0.725
MAT-POS-a5ef2d74-2
0.725
MAT-POS-ec6d90b7-4
0.725
PET-UNK-ee8352fa-3
0.705
PET-UNK-5d7c542f-1
0.702
ALP-POS-6f6ae286-3
0.702
PET-UNK-ee8352fa-1
0.702
PET-UNK-b38839dc-20
0.695
PET-UNK-81b485b5-8
0.691
PET-UNK-81b485b5-22
0.691
EDG-MED-0e5afe9d-3
0.677
EDJ-MED-d08626de-1
0.677
PET-UNK-29afea89-2
0.677
EDJ-MED-d08626de-2
0.677
PET-UNK-5d7c542f-2
0.670
MAT-POS-24589f88-1
0.667
PET-UNK-f4e47ebd-19
0.667
PET-UNK-a7639856-1
0.667
EDJ-MED-611d11e7-7
0.667
MAT-POS-96f51285-1
0.667
ALP-POS-93b3621f-3
0.663
ALP-POS-93b3621f-4
0.663
PET-UNK-f4e47ebd-18
0.660
MAT-POS-96f51285-2
0.660
EDJ-MED-611d11e7-1
0.660
PET-UNK-f4e47ebd-17
0.653
EDJ-MED-611d11e7-10
0.653
MAT-POS-a5ef2d74-3
0.653
ALF-EVA-82cf4849-11
0.650
PET-UNK-7bb24635-2
0.650
EDJ-MED-1b46f08e-1
0.644
ALF-EVA-82cf4849-8
0.640
EDG-MED-10fcb19e-5
0.637
EDG-MED-10fcb19e-2
0.634
EDG-MED-10fcb19e-3
0.634
EDG-MED-10fcb19e-1
0.634
EDJ-MED-6bf93aa8-1
0.634
PET-UNK-b38839dc-18
0.632
MAR-UCB-fd2e172f-41
0.632
ALF-EVA-82cf4849-12
0.631
MAR-UCB-fd2e172f-31
0.629
ALF-EVA-82cf4849-13
0.627
MIC-UNK-7f86385f-1
0.627
MIC-UNK-7f86385f-2
0.615
PET-UNK-0df12184-2
0.615
MIC-UNK-7f86385f-3
0.613
PET-UNK-0df12184-5
0.608
MAR-UCB-fd2e172f-24
0.608
MIC-UNK-7f86385f-5
0.607
PET-UNK-0df12184-1
0.602
MIC-UNK-7f86385f-4
0.598
ALF-EVA-82cf4849-4
0.596
JOH-UNI-6e27fddc-1
0.596
PET-UNK-c761fc18-1
0.596
MAR-UCB-fd2e172f-13
0.594
PET-UNK-f9b7ae87-9
0.592
PET-UNK-c761fc18-5
0.592
MAR-UCB-fd2e172f-25
0.592
PET-UNK-0df12184-4
0.592
ALP-POS-5de921e7-1
0.589
MAR-UCB-fd2e172f-28
0.588
PET-UNK-0df12184-3
0.586
MAR-UCB-fd2e172f-20
0.580
MAR-UCB-fd2e172f-43
0.578
ALP-POS-e6e0c683-2
0.576
JOH-UNI-99d163e5-2
0.576
JOH-UNI-99d163e5-6
0.574
MAR-UCB-fd2e172f-27
0.570
EDJ-MED-ee742daa-1
0.561
MAR-UCB-fd2e172f-21
0.556
MAR-UCB-fd2e172f-2
0.554
ALP-POS-e6e0c683-1
0.554
PET-UNK-bcc8fd08-2
0.553
MAR-UCB-fd2e172f-14
0.549
MAR-UCB-fd2e172f-29
0.549
MAR-UCB-fd2e172f-22
0.545
JOH-UNI-99d163e5-4
0.544
PET-UNK-03fd2068-7
0.544
PET-UNK-329a9ce9-8
0.541
MAR-UCB-fd2e172f-26
0.538
PET-UNK-bcc8fd08-3
0.538
PET-UNK-49566573-3
0.536
PET-UNK-09a29654-6
0.536
MAR-UCB-fd2e172f-34
0.534
MAR-UCB-fd2e172f-40
0.534
MAR-UCB-fd2e172f-36
0.534
MAR-UCB-fd2e172f-18
0.533
MAR-UCB-fd2e172f-12
0.533
MAR-UCB-6ab2ec87-3
0.530
MAR-UCB-fd2e172f-19
0.530
MAR-UCB-fd2e172f-16
0.529
DAR-DIA-e7614d05-1
0.529
DAR-DIA-e7614d05-2
0.529
ALP-POS-93b3621f-1
0.529
DAR-DIA-e7614d05-3
0.529
MAR-UCB-fd2e172f-35
0.529
ALP-POS-5de921e7-2
0.528