Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3c2COC3)CCOc2ccc(Cl)cc21 |
MW: | 360.09 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 69.68 |
cLogP: | 3.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-29afea89-2
ALP-POS-e6e0c683-2
0.724
MAR-UCB-fd2e172f-35
0.700
ALP-POS-e6e0c683-1
0.697
MAR-UCB-fd2e172f-27
0.678
MAR-UCB-fd2e172f-26
0.674
MAR-UCB-fd2e172f-12
0.667
MAR-UCB-fd2e172f-30
0.653
MAR-UCB-fd2e172f-14
0.652
MAR-UCB-fd2e172f-1
0.641
MAR-UCB-fd2e172f-29
0.634
MAR-UCB-fd2e172f-18
0.632
ALP-POS-5de921e7-1
0.629
MAR-UCB-fd2e172f-5
0.628
MAR-UCB-fd2e172f-21
0.609
ALP-POS-5de921e7-2
0.608
EDJ-MED-ee742daa-1
0.598
PET-UNK-0df12184-5
0.596
PET-UNK-c761fc18-5
0.596
MAR-UCB-fd2e172f-24
0.596
EDJ-MED-611d11e7-10
0.589
PET-UNK-f4e47ebd-17
0.589
MAT-POS-a5ef2d74-3
0.589
MAR-UCB-fd2e172f-41
0.585
PET-UNK-b38839dc-18
0.585
PET-UNK-0df12184-2
0.585
MAR-UCB-fd2e172f-20
0.583
PET-UNK-c761fc18-1
0.583
MAR-UCB-fd2e172f-31
0.583
PET-UNK-0df12184-4
0.579
EDG-MED-0e5afe9d-3
0.579
EDJ-MED-d08626de-1
0.579
PET-UNK-29afea89-2
0.579
EDJ-MED-d08626de-2
0.579
MAR-UCB-fd2e172f-25
0.579
MAT-POS-a5ef2d74-2
0.573
MAT-POS-ec6d90b7-4
0.573
PET-UNK-0df12184-1
0.573
MAR-UCB-fd2e172f-2
0.573
PET-UNK-0df12184-3
0.573
EDJ-MED-611d11e7-4
0.573
PET-UNK-5d7c542f-1
0.571
PET-UNK-f4e47ebd-19
0.571
ALP-POS-6f6ae286-3
0.571
JOH-UNI-6e27fddc-1
0.567
MAR-UCB-fd2e172f-36
0.567
MAR-UCB-fd2e172f-4
0.566
PET-UNK-f4e47ebd-18
0.566
MAR-UCB-fd2e172f-43
0.566
PET-UNK-b38839dc-20
0.566
MAR-UCB-fd2e172f-7
0.564
MAR-UCB-fd2e172f-16
0.562
PET-UNK-5d7c542f-2
0.560
ALP-POS-5de921e7-5
0.559
EDG-MED-10fcb19e-2
0.559
EDJ-MED-611d11e7-7
0.556
MAT-POS-96f51285-1
0.556
MAT-POS-24589f88-1
0.556
PET-UNK-ee8352fa-1
0.556
ALP-POS-93b3621f-4
0.554
ALF-EVA-82cf4849-13
0.553
MAR-UCB-fd2e172f-40
0.551
MAR-UCB-fd2e172f-32
0.551
MAR-UCB-fd2e172f-34
0.551
MAT-POS-96f51285-2
0.550
PET-UNK-b38839dc-19
0.550
EDJ-MED-611d11e7-1
0.550
MAR-UCB-fd2e172f-13
0.550
ALF-EVA-82cf4849-8
0.549
MAR-UCB-fd2e172f-19
0.547
MAR-UCB-fd2e172f-23
0.546
MAR-UCB-fd2e172f-28
0.545
PET-UNK-ee8352fa-2
0.545
PET-UNK-ee8352fa-3
0.545
PET-UNK-a7639856-1
0.544
EDG-MED-10fcb19e-1
0.544
EDJ-MED-6bf93aa8-1
0.544
ALF-EVA-82cf4849-12
0.543
ALP-POS-93b3621f-3
0.539
EDJ-MED-1b46f08e-1
0.538
MIC-UNK-7f86385f-1
0.538
MAR-UCB-fd2e172f-10
0.535
MAR-UCB-fd2e172f-15
0.535
PET-UNK-a7639856-2
0.534
EDG-MED-10fcb19e-5
0.533
ALP-POS-5de921e7-6
0.532
JOH-UNI-99d163e5-2
0.531
ALF-EVA-82cf4849-11
0.529
EDG-MED-10fcb19e-3
0.529
MIC-UNK-7f86385f-2
0.528
MAR-UCB-fd2e172f-8
0.525
ALP-POS-93b3621f-2
0.525
EDJ-MED-d2def222-2
0.520
MAR-UCB-fd2e172f-38
0.515
JOH-UNI-99d163e5-6
0.515
MIC-UNK-7f86385f-3
0.514
MIC-UNK-7f86385f-4
0.514
MAR-UCB-fd2e172f-3
0.510
MAR-UCB-fd2e172f-6
0.510
PET-UNK-a7639856-3
0.509
MIC-UNK-7f86385f-5
0.509