Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cnc3ccc(F)cn23)CCOc2ccc(Cl)cc21 |
MW: | 375.08 |
Fraction sp3: | 0.22 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 64.86 |
cLogP: | 3.39 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-29afea89-2
EDJ-MED-d2def222-2
0.577
MAR-UCB-fd2e172f-8
0.567
MAR-UCB-fd2e172f-19
0.542
MAT-POS-a5ef2d74-2
0.535
MAT-POS-ec6d90b7-4
0.535
EDJ-MED-611d11e7-4
0.535
MAR-UCB-fd2e172f-40
0.530
EDJ-MED-d2def222-1
0.530
EDJ-MED-ee742daa-1
0.526
JOH-UNI-99d163e5-2
0.525
ALP-POS-5de921e7-5
0.521
PET-UNK-5d7c542f-1
0.520
ALP-POS-6f6ae286-3
0.520
ALP-POS-5de921e7-3
0.510
JOH-UNI-99d163e5-4
0.510
JOH-UNI-99d163e5-6
0.510
ALP-POS-5de921e7-1
0.505
MAR-UCB-fd2e172f-21
0.505
PET-UNK-c761fc18-1
0.500
MAR-UCB-fd2e172f-37
0.500
JOH-UNI-99d163e5-8
0.500
MAR-UCB-fd2e172f-5
0.495
MAR-UCB-fd2e172f-16
0.495
PET-UNK-0df12184-5
0.495
MAR-UCB-fd2e172f-24
0.495
PET-UNK-c761fc18-5
0.495
MAR-UCB-fd2e172f-23
0.495
PET-UNK-f4e47ebd-19
0.490
MAR-UCB-fd2e172f-1
0.490
MAR-UCB-fd2e172f-2
0.490
MAR-UCB-fd2e172f-33
0.490
PET-UNK-0df12184-1
0.490
PET-UNK-a7639856-2
0.486
PET-UNK-f4e47ebd-18
0.486
PET-UNK-b38839dc-19
0.486
MAR-UCB-fd2e172f-34
0.485
MAR-UCB-fd2e172f-20
0.485
MAR-UCB-fd2e172f-10
0.485
MAR-UCB-fd2e172f-32
0.485
MAR-UCB-fd2e172f-36
0.485
JOH-UNI-6e27fddc-1
0.485
PET-UNK-0df12184-2
0.485
MAR-UCB-fd2e172f-41
0.485
PET-UNK-b38839dc-18
0.485
ALP-POS-5de921e7-4
0.485
PET-UNK-ee8352fa-2
0.481
MAR-UCB-fd2e172f-38
0.481
MAR-UCB-fd2e172f-22
0.480
MAR-UCB-fd2e172f-25
0.480
ALP-POS-e6e0c683-2
0.480
EDJ-MED-d08626de-2
0.480
PET-UNK-29afea89-2
0.480
EDG-MED-0e5afe9d-3
0.480
PET-UNK-0df12184-4
0.480
EDJ-MED-d08626de-1
0.480
ALP-POS-5de921e7-6
0.480
MAT-POS-96f51285-1
0.476
MAT-POS-24589f88-1
0.476
MAR-UCB-fd2e172f-3
0.476
MAR-UCB-fd2e172f-6
0.476
EDJ-MED-611d11e7-7
0.476
PET-UNK-f4e47ebd-17
0.476
PET-UNK-0df12184-3
0.476
ALP-POS-e6e0c683-1
0.476
MAR-UCB-fd2e172f-27
0.476
MAT-POS-a5ef2d74-3
0.476
EDJ-MED-611d11e7-10
0.476
MAR-UCB-fd2e172f-11
0.475
MAR-UCB-fd2e172f-7
0.472
MAR-UCB-fd2e172f-15
0.472
MAR-UCB-fd2e172f-43
0.472
MAR-UCB-fd2e172f-4
0.472
MAR-UCB-fd2e172f-31
0.471
MAR-UCB-fd2e172f-14
0.471
MAR-UCB-fd2e172f-29
0.471
MAR-UCB-fd2e172f-9
0.471
ALF-EVA-82cf4849-11
0.468
PET-UNK-ee8352fa-3
0.467
ALP-POS-5de921e7-2
0.467
MAR-UCB-fd2e172f-28
0.467
MAR-UCB-fd2e172f-35
0.467
MAR-UCB-fd2e172f-42
0.466
ALP-POS-93b3621f-3
0.463
ALP-POS-93b3621f-4
0.463
MAR-UCB-fd2e172f-30
0.463
MAR-UCB-fd2e172f-26
0.462
PET-UNK-ee8352fa-1
0.462
MAT-POS-96f51285-2
0.458
MAR-UCB-fd2e172f-13
0.458
MAR-UCB-fd2e172f-18
0.458
PET-UNK-b38839dc-20
0.458
EDJ-MED-611d11e7-1
0.458
MAR-UCB-fd2e172f-12
0.458
MAR-UCB-fd2e172f-39
0.457
EDG-MED-10fcb19e-1
0.455
PET-UNK-5d7c542f-2
0.454
PET-UNK-a7639856-3
0.451
MIC-UNK-7f86385f-1
0.450
EDJ-MED-1b46f08e-1
0.450
ALF-EVA-82cf4849-13
0.450