Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3cnsc23)CCOc2ccc(Cl)cc21 |
MW: | 375.04 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 73.34 |
cLogP: | 3.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-d2def222-2
JIN-POS-6dc588a4-22
RUB-POS-1325a9ea-13
PET-UNK-29afea89-2
RUB-POS-1325a9ea-12
EDJ-MED-d2def222-1
RIT-HTT-61afd604-1
PET-UNK-b1ef24dc-2
PET-UNK-b1ef24dc-1
PET-UNK-b1ef24dc-4
MAR-UCB-fd2e172f-24
RUB-POS-1325a9ea-14
PET-UNK-b1ef24dc-3
MAR-UCB-fd2e172f-25
0.641
PET-UNK-0df12184-4
0.641
PET-UNK-0df12184-1
0.634
PET-UNK-ab76d8f6-4
0.628
MAR-UCB-fd2e172f-20
0.628
PET-UNK-c761fc18-5
0.624
EDG-MED-0e5afe9d-3
0.624
EDJ-MED-d08626de-1
0.624
PET-UNK-29afea89-2
0.624
EDJ-MED-d08626de-2
0.624
ALP-POS-5de921e7-1
0.622
EDJ-MED-611d11e7-4
0.617
MAT-POS-a5ef2d74-3
0.617
MAT-POS-a5ef2d74-2
0.617
MAT-POS-ec6d90b7-4
0.617
EDJ-MED-611d11e7-10
0.617
PET-UNK-f4e47ebd-17
0.617
PET-UNK-5d7c542f-1
0.615
PET-UNK-f4e47ebd-19
0.615
ALP-POS-6f6ae286-3
0.615
PET-UNK-c761fc18-1
0.611
JOH-UNI-6e27fddc-1
0.611
MAR-UCB-fd2e172f-21
0.602
PET-UNK-5d7c542f-2
0.602
MAR-UCB-fd2e172f-2
0.600
EDJ-MED-611d11e7-7
0.598
MAT-POS-96f51285-1
0.598
MAT-POS-24589f88-1
0.598
PET-UNK-ee8352fa-1
0.598
ALP-POS-93b3621f-4
0.596
ALP-POS-93b3621f-3
0.596
PET-UNK-b38839dc-18
0.596
MAR-UCB-fd2e172f-41
0.596
PET-UNK-b38839dc-20
0.592
MAT-POS-96f51285-2
0.592
PET-UNK-f4e47ebd-18
0.592
PET-UNK-b38839dc-19
0.592
EDJ-MED-611d11e7-1
0.592
MAR-UCB-fd2e172f-24
0.589
PET-UNK-0df12184-5
0.589
PET-UNK-ee8352fa-2
0.586
PET-UNK-ee8352fa-3
0.586
PET-UNK-0df12184-2
0.579
MIC-UNK-7f86385f-1
0.578
MAR-UCB-fd2e172f-31
0.577
MAR-UCB-fd2e172f-29
0.577
PET-UNK-c65ea24c-16
0.576
EDJ-MED-ee742daa-1
0.574
ALF-EVA-82cf4849-8
0.574
PET-UNK-a7639856-2
0.574
MAR-UCB-fd2e172f-22
0.573
ALP-POS-e6e0c683-2
0.573
ALF-EVA-82cf4849-11
0.569
EDG-MED-10fcb19e-1
0.569
EDG-MED-10fcb19e-3
0.569
EDJ-MED-6bf93aa8-1
0.569
EDG-MED-10fcb19e-2
0.569
PET-UNK-a7639856-1
0.569
ALF-EVA-82cf4849-12
0.567
MAR-UCB-fd2e172f-27
0.567
ALP-POS-e6e0c683-1
0.567
MAR-UCB-fd2e172f-26
0.566
MAR-UCB-fd2e172f-3
0.566
PET-UNK-c65ea24c-4
0.564
ALF-EVA-82cf4849-13
0.563
EDJ-MED-1b46f08e-1
0.563
MAR-UCB-fd2e172f-14
0.561
MAR-UCB-fd2e172f-43
0.560
MAR-UCB-fd2e172f-12
0.560
PET-UNK-c65ea24c-10
0.558
EDG-MED-10fcb19e-5
0.558
MAR-UCB-fd2e172f-35
0.556
MAR-UCB-fd2e172f-38
0.556
ALP-POS-5de921e7-2
0.554
MAR-UCB-fd2e172f-28
0.554
ALP-POS-5de921e7-5
0.553
MIC-UNK-7f86385f-2
0.552
PET-UNK-a7639856-3
0.547
MAR-UCB-fd2e172f-34
0.545
MAR-UCB-fd2e172f-36
0.545
MAR-UCB-fd2e172f-13
0.545
MAR-UCB-fd2e172f-18
0.545
MAR-UCB-fd2e172f-19
0.542
MAR-UCB-fd2e172f-23
0.541
JOH-UNI-99d163e5-6
0.540
MIC-UNK-7f86385f-3
0.537
MIC-UNK-7f86385f-4
0.537
MAR-UCB-fd2e172f-30
0.534
MIC-UNK-7f86385f-5
0.532
MAR-UCB-fd2e172f-9
0.531
ALF-EVA-82cf4849-4
0.530
EDJ-MED-d2def222-2
0.530
MAR-UCB-fd2e172f-40
0.530
ALP-POS-5de921e7-6
0.526
JOH-UNI-99d163e5-2
0.525
MAR-UCB-fd2e172f-16
0.525
JOH-UNI-99d163e5-4
0.525
MAR-UCB-fd2e172f-1
0.520
MAR-UCB-fd2e172f-8
0.520
MAR-UCB-fd2e172f-32
0.515