Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3c2CC[C@H]3N)CCOc2ccc(Cl)cc21 |
MW: | 373.12 |
Fraction sp3: | 0.37 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 86.47 |
cLogP: | 2.94 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-29afea89-2
MAR-UCB-fd2e172f-27
0.779
MAR-UCB-fd2e172f-18
0.744
MAR-UCB-fd2e172f-21
0.667
MAR-UCB-fd2e172f-35
0.667
ALP-POS-e6e0c683-2
0.652
MAR-UCB-fd2e172f-22
0.652
ALP-POS-e6e0c683-1
0.645
MAR-UCB-fd2e172f-29
0.638
MAR-UCB-fd2e172f-26
0.625
MAR-UCB-fd2e172f-12
0.619
ALP-POS-5de921e7-1
0.615
ALP-POS-5de921e7-2
0.612
MAR-UCB-fd2e172f-30
0.606
PET-UNK-0df12184-1
0.594
PET-UNK-b38839dc-18
0.589
MAR-UCB-fd2e172f-41
0.589
MAR-UCB-fd2e172f-31
0.588
MAR-UCB-fd2e172f-25
0.583
MAR-UCB-fd2e172f-24
0.583
PET-UNK-0df12184-4
0.583
PET-UNK-0df12184-5
0.583
MAR-UCB-fd2e172f-5
0.582
ALP-POS-5de921e7-5
0.581
MAR-UCB-fd2e172f-2
0.577
MAR-UCB-fd2e172f-1
0.577
PET-UNK-0df12184-2
0.573
EDJ-MED-ee742daa-1
0.568
EDJ-MED-d08626de-2
0.567
EDJ-MED-d08626de-1
0.567
PET-UNK-29afea89-2
0.567
PET-UNK-c761fc18-5
0.567
EDG-MED-0e5afe9d-3
0.567
EDJ-MED-611d11e7-4
0.561
PET-UNK-f4e47ebd-17
0.561
EDJ-MED-611d11e7-10
0.561
MAT-POS-a5ef2d74-2
0.561
PET-UNK-0df12184-3
0.561
MAT-POS-ec6d90b7-4
0.561
MAT-POS-a5ef2d74-3
0.561
EDJ-MED-611d11e7-7
0.560
MAT-POS-96f51285-1
0.560
PET-UNK-f4e47ebd-19
0.560
MAT-POS-24589f88-1
0.560
MAR-UCB-fd2e172f-20
0.556
JOH-UNI-6e27fddc-1
0.556
PET-UNK-c761fc18-1
0.556
MAR-UCB-fd2e172f-34
0.556
MAR-UCB-fd2e172f-36
0.556
MAR-UCB-fd2e172f-4
0.554
MAR-UCB-fd2e172f-13
0.554
MAR-UCB-fd2e172f-43
0.554
PET-UNK-f4e47ebd-18
0.554
EDG-MED-10fcb19e-5
0.552
MAR-UCB-fd2e172f-19
0.552
MAR-UCB-fd2e172f-23
0.551
PET-UNK-ee8352fa-2
0.549
PET-UNK-ee8352fa-3
0.549
MAR-UCB-fd2e172f-28
0.549
ALP-POS-6f6ae286-3
0.545
PET-UNK-ee8352fa-1
0.545
PET-UNK-5d7c542f-1
0.545
MAR-UCB-fd2e172f-10
0.540
EDJ-MED-611d11e7-1
0.539
PET-UNK-b38839dc-20
0.539
MAT-POS-96f51285-2
0.539
PET-UNK-b38839dc-19
0.539
ALF-EVA-82cf4849-8
0.538
MAR-UCB-fd2e172f-7
0.538
MAR-UCB-fd2e172f-16
0.535
PET-UNK-5d7c542f-2
0.534
ALF-EVA-82cf4849-11
0.533
PET-UNK-a7639856-1
0.533
ALF-EVA-82cf4849-12
0.533
MIC-UNK-7f86385f-2
0.533
MAR-UCB-fd2e172f-6
0.529
ALP-POS-93b3621f-3
0.529
ALP-POS-93b3621f-4
0.529
ALF-EVA-82cf4849-13
0.528
MAR-UCB-fd2e172f-40
0.525
MAR-UCB-fd2e172f-32
0.525
MAR-UCB-fd2e172f-15
0.524
PET-UNK-a7639856-2
0.524
ALP-POS-5de921e7-6
0.521
JOH-UNI-99d163e5-2
0.520
EDG-MED-10fcb19e-1
0.519
EDG-MED-10fcb19e-2
0.519
EDG-MED-10fcb19e-3
0.519
EDJ-MED-6bf93aa8-1
0.519
MAR-UCB-fd2e172f-8
0.515
MAR-UCB-fd2e172f-3
0.515
MIC-UNK-7f86385f-1
0.514
EDJ-MED-1b46f08e-1
0.514
MAR-UCB-fd2e172f-39
0.510
EDJ-MED-d2def222-2
0.510
ALP-POS-5de921e7-3
0.505
JOH-UNI-99d163e5-6
0.505
MAR-UCB-fd2e172f-38
0.505
JOH-UNI-99d163e5-4
0.505
MIC-UNK-7f86385f-3
0.505
MIC-UNK-7f86385f-4
0.505