Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3nncn23)CCOc2ccc(Cl)cc21 |
MW: | 359.08 |
Fraction sp3: | 0.25 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 90.64 |
cLogP: | 2.04 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-0df12184-4
PET-UNK-0df12184-3
PET-UNK-0df12184-2
PET-UNK-0df12184-1
PET-UNK-0df12184-5
PET-UNK-c65ea24c-17
PET-UNK-c65ea24c-16
PET-UNK-c65ea24c-15
PET-UNK-c65ea24c-12
PET-UNK-c65ea24c-11
PET-UNK-c65ea24c-10
PET-UNK-c65ea24c-9
PET-UNK-c65ea24c-8
PET-UNK-c65ea24c-7
PET-UNK-c65ea24c-6
PET-UNK-c65ea24c-5
PET-UNK-c65ea24c-4
PET-UNK-c65ea24c-2
PET-UNK-c65ea24c-3
PET-UNK-c65ea24c-1
PET-UNK-c65ea24c-18
PET-UNK-c65ea24c-13
PET-UNK-c65ea24c-14
MAR-UCB-fd2e172f-8
0.663
EDJ-MED-d2def222-1
0.638
MAR-UCB-fd2e172f-17
0.577
MAR-UCB-fd2e172f-21
0.562
ALP-POS-5de921e7-1
0.547
PET-UNK-0df12184-2
0.541
PET-UNK-c761fc18-1
0.540
EDJ-MED-ee742daa-1
0.536
PET-UNK-c761fc18-5
0.535
PET-UNK-0df12184-4
0.535
ALP-POS-5de921e7-5
0.531
PET-UNK-0df12184-3
0.530
PET-UNK-b38839dc-18
0.525
MAR-UCB-fd2e172f-41
0.525
MAR-UCB-fd2e172f-34
0.525
MAR-UCB-fd2e172f-36
0.525
MAR-UCB-fd2e172f-43
0.524
PET-UNK-b38839dc-19
0.524
MAR-UCB-fd2e172f-19
0.520
EDJ-MED-d08626de-1
0.520
MAR-UCB-fd2e172f-22
0.520
MAR-UCB-fd2e172f-24
0.520
MAR-UCB-fd2e172f-25
0.520
JOH-UNI-99d163e5-2
0.520
EDG-MED-0e5afe9d-3
0.520
PET-UNK-0df12184-5
0.520
EDJ-MED-d08626de-2
0.520
PET-UNK-29afea89-2
0.520
ALP-POS-e6e0c683-2
0.520
MAR-UCB-fd2e172f-5
0.520
MAR-UCB-fd2e172f-27
0.515
PET-UNK-f4e47ebd-17
0.515
EDJ-MED-611d11e7-10
0.515
MAT-POS-a5ef2d74-3
0.515
ALP-POS-e6e0c683-1
0.515
MAR-UCB-fd2e172f-1
0.515
MAR-UCB-fd2e172f-2
0.515
MAT-POS-a5ef2d74-2
0.515
EDJ-MED-611d11e7-4
0.515
MAT-POS-ec6d90b7-4
0.515
PET-UNK-0df12184-1
0.515
MAR-UCB-fd2e172f-3
0.515
PET-UNK-ee8352fa-1
0.515
JOH-UNI-6e27fddc-1
0.510
MAR-UCB-fd2e172f-29
0.510
MAR-UCB-fd2e172f-14
0.510
MAR-UCB-fd2e172f-20
0.510
MAR-UCB-fd2e172f-31
0.510
MAR-UCB-fd2e172f-40
0.510
EDJ-MED-611d11e7-1
0.510
PET-UNK-b38839dc-20
0.510
MAR-UCB-fd2e172f-18
0.510
MAT-POS-96f51285-2
0.510
ALP-POS-5de921e7-3
0.505
ALP-POS-5de921e7-6
0.505
MAR-UCB-fd2e172f-23
0.505
MAR-UCB-fd2e172f-16
0.505
MAR-UCB-fd2e172f-35
0.505
ALP-POS-5de921e7-2
0.505
PET-UNK-5d7c542f-2
0.505
MAR-UCB-fd2e172f-28
0.505
EDG-MED-10fcb19e-3
0.505
MAT-POS-96f51285-1
0.500
PET-UNK-f4e47ebd-19
0.500
ALP-POS-93b3621f-4
0.500
MAT-POS-24589f88-1
0.500
ALF-EVA-82cf4849-13
0.500
MAR-UCB-fd2e172f-6
0.500
MAR-UCB-fd2e172f-26
0.500
EDJ-MED-1b46f08e-1
0.500
ALP-POS-6f6ae286-3
0.500
EDJ-MED-611d11e7-7
0.500
PET-UNK-5d7c542f-1
0.500
MAR-UCB-fd2e172f-30
0.500
ALF-EVA-82cf4849-8
0.495
MAR-UCB-fd2e172f-7
0.495
MAR-UCB-fd2e172f-4
0.495
MAR-UCB-fd2e172f-13
0.495
PET-UNK-f4e47ebd-18
0.495
MAR-UCB-fd2e172f-12
0.495
MAR-UCB-fd2e172f-10
0.495
MAR-UCB-fd2e172f-32
0.495
EDG-MED-10fcb19e-1
0.491
PET-UNK-a7639856-1
0.491
PET-UNK-ee8352fa-2
0.491
PET-UNK-ee8352fa-3
0.491
JOH-UNI-99d163e5-6
0.490
MAR-UCB-fd2e172f-38
0.490
MIC-UNK-7f86385f-1
0.486
ALP-POS-93b3621f-3
0.486
PET-UNK-a7639856-2
0.481
MAR-UCB-fd2e172f-15
0.481
MAR-UCB-fd2e172f-39
0.481
MAR-UCB-fd2e172f-37
0.480
ALP-POS-5de921e7-4
0.480
MIC-UNK-7f86385f-3
0.478
MIC-UNK-7f86385f-2
0.477
EDJ-MED-6bf93aa8-1
0.477
EDG-MED-10fcb19e-2
0.477
ALF-EVA-82cf4849-11
0.477