Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cnc(F)c3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 386.08 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 60.45 |
cLogP: | 4.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter94_2_halo_pyridine
2-halopyridine
JOH-UNI-99d163e5-1
0.759
JOH-UNI-99d163e5-6
0.739
EDG-MED-0e5afe9d-3
0.667
PET-UNK-29afea89-2
0.667
EDJ-MED-d08626de-2
0.667
EDJ-MED-d08626de-1
0.667
JOH-UNI-99d163e5-4
0.645
MAT-POS-ec6d90b7-4
0.624
MAT-POS-a5ef2d74-2
0.624
EDJ-MED-611d11e7-4
0.624
ALP-POS-6f6ae286-3
0.604
PET-UNK-5d7c542f-1
0.604
PET-UNK-0df12184-2
0.602
ALP-POS-5de921e7-5
0.593
MAR-UCB-fd2e172f-41
0.585
PET-UNK-b38839dc-18
0.585
MAR-UCB-fd2e172f-40
0.583
PET-UNK-b38839dc-19
0.582
PET-UNK-0df12184-5
0.579
MAR-UCB-fd2e172f-24
0.579
MAR-UCB-fd2e172f-16
0.579
PET-UNK-5d7c542f-2
0.576
PET-UNK-ee8352fa-2
0.576
EDJ-MED-611d11e7-10
0.573
PET-UNK-0df12184-1
0.573
PET-UNK-f4e47ebd-17
0.573
MAT-POS-a5ef2d74-3
0.573
PET-UNK-f4e47ebd-19
0.571
MAR-UCB-fd2e172f-36
0.567
MAR-UCB-fd2e172f-31
0.567
PET-UNK-f4e47ebd-18
0.566
JOH-UNI-99d163e5-8
0.566
PET-UNK-a7639856-2
0.564
MAR-UCB-fd2e172f-19
0.564
EDJ-MED-ee742daa-1
0.564
JOH-UNI-99d163e5-5
0.560
PET-UNK-ee8352fa-3
0.560
ALP-POS-5de921e7-1
0.559
MAR-UCB-fd2e172f-1
0.557
MAR-UCB-fd2e172f-6
0.556
PET-UNK-ee8352fa-1
0.556
EDJ-MED-611d11e7-7
0.556
MAT-POS-96f51285-1
0.556
MAT-POS-24589f88-1
0.556
ALP-POS-93b3621f-4
0.554
ALP-POS-93b3621f-3
0.554
MAR-UCB-fd2e172f-32
0.551
MAR-UCB-fd2e172f-34
0.551
JOH-UNI-6e27fddc-1
0.551
PET-UNK-b38839dc-20
0.550
EDJ-MED-611d11e7-1
0.550
MAR-UCB-fd2e172f-4
0.550
MAR-UCB-fd2e172f-43
0.550
MAR-UCB-fd2e172f-13
0.550
MAT-POS-96f51285-2
0.550
ALP-POS-5de921e7-6
0.548
MAR-UCB-fd2e172f-23
0.546
MAR-UCB-fd2e172f-5
0.545
MAR-UCB-fd2e172f-28
0.545
ALF-EVA-82cf4849-11
0.544
MAR-UCB-fd2e172f-21
0.542
MAR-UCB-fd2e172f-2
0.541
MAR-UCB-fd2e172f-27
0.541
MAR-UCB-fd2e172f-3
0.540
PET-UNK-a7639856-3
0.538
MAR-UCB-fd2e172f-29
0.535
MAR-UCB-fd2e172f-20
0.535
MAR-UCB-fd2e172f-15
0.535
ALF-EVA-82cf4849-8
0.534
PET-UNK-c761fc18-5
0.531
MAR-UCB-fd2e172f-25
0.531
ALP-POS-e6e0c683-2
0.531
MAR-UCB-fd2e172f-22
0.531
PET-UNK-0df12184-4
0.531
DAR-DIA-e7614d05-2
0.530
ALP-POS-93b3621f-1
0.530
DAR-DIA-e7614d05-3
0.530
DAR-DIA-e7614d05-1
0.530
PET-UNK-a7639856-1
0.529
EDJ-MED-6bf93aa8-1
0.529
EDG-MED-10fcb19e-2
0.529
EDG-MED-10fcb19e-1
0.529
EDG-MED-10fcb19e-3
0.529
ALP-POS-e6e0c683-1
0.525
MAR-UCB-fd2e172f-17
0.525
PET-UNK-0df12184-3
0.525
ALF-EVA-82cf4849-13
0.524
MIC-UNK-7f86385f-1
0.524
EDJ-MED-1b46f08e-1
0.524
MAR-UCB-fd2e172f-14
0.520
PET-UNK-c761fc18-1
0.520
MAR-UCB-fd2e172f-10
0.520
EDJ-MED-d2def222-2
0.520
MAR-UCB-fd2e172f-7
0.519
EDG-MED-10fcb19e-5
0.519
ALP-POS-5de921e7-3
0.516
MAR-UCB-fd2e172f-38
0.515
MAR-UCB-fd2e172f-35
0.515
ALP-POS-5de921e7-2
0.515
JOH-UNI-99d163e5-3
0.515