Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3ccc(N(C)C)cc23)CCOc2ccc(Cl)cc21 |
MW: | 411.13 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 63.69 |
cLogP: | 4.22 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-a7639856-1
0.811
MAT-POS-a5ef2d74-2
0.782
MAT-POS-ec6d90b7-4
0.782
EDJ-MED-611d11e7-4
0.782
MAT-POS-24589f88-1
0.756
EDJ-MED-611d11e7-7
0.756
MAT-POS-96f51285-1
0.756
MAT-POS-96f51285-2
0.747
EDJ-MED-611d11e7-1
0.747
ALF-EVA-82cf4849-8
0.742
ALP-POS-93b3621f-3
0.731
PET-UNK-29afea89-2
0.730
EDJ-MED-d08626de-2
0.730
EDG-MED-0e5afe9d-3
0.730
EDJ-MED-d08626de-1
0.730
ALF-EVA-82cf4849-13
0.726
EDG-MED-10fcb19e-1
0.716
EDG-MED-10fcb19e-3
0.716
ALF-EVA-82cf4849-11
0.716
PET-UNK-f4e47ebd-17
0.703
MAT-POS-a5ef2d74-3
0.703
EDJ-MED-611d11e7-10
0.703
PET-UNK-ee8352fa-3
0.702
PET-UNK-ee8352fa-2
0.702
EDG-MED-10fcb19e-5
0.701
ALF-EVA-82cf4849-12
0.694
ALF-EVA-82cf4849-4
0.677
PET-UNK-f4e47ebd-18
0.674
PET-UNK-b38839dc-19
0.674
PET-UNK-b38839dc-20
0.674
PET-UNK-a7639856-2
0.653
PET-UNK-5d7c542f-2
0.649
PET-UNK-f4e47ebd-19
0.646
ALP-POS-6f6ae286-3
0.646
PET-UNK-5d7c542f-1
0.646
PET-UNK-0df12184-2
0.645
PET-UNK-7bb24635-1
0.643
PET-UNK-a7639856-3
0.637
EDG-MED-10fcb19e-2
0.630
PET-UNK-b38839dc-18
0.628
MAR-UCB-fd2e172f-41
0.628
ALP-POS-93b3621f-4
0.626
MAR-UCB-fd2e172f-31
0.625
EDJ-MED-1b46f08e-1
0.624
PET-UNK-0df12184-5
0.621
MAR-UCB-fd2e172f-24
0.621
PET-UNK-0df12184-1
0.615
EDJ-MED-6bf93aa8-1
0.614
MIC-UNK-7f86385f-1
0.608
PET-UNK-c761fc18-5
0.604
MAR-UCB-fd2e172f-25
0.604
PET-UNK-0df12184-4
0.604
ALP-POS-5de921e7-1
0.602
PET-UNK-0df12184-3
0.598
MIC-UNK-7f86385f-2
0.596
PET-UNK-bcc8fd08-2
0.596
MIC-UNK-7f86385f-3
0.594
JOH-UNI-6e27fddc-1
0.592
PET-UNK-c761fc18-1
0.592
MAR-UCB-fd2e172f-20
0.592
MAR-UCB-fd2e172f-43
0.590
MAR-UCB-fd2e172f-13
0.590
MAR-UCB-6ab2ec87-3
0.589
MIC-UNK-7f86385f-5
0.589
PET-UNK-03fd2068-7
0.586
MAR-UCB-fd2e172f-28
0.584
PET-UNK-fe31e24a-4
0.584
MIC-UNK-7f86385f-4
0.579
PET-UNK-3bb57da2-3
0.578
PET-UNK-49566573-3
0.575
PET-UNK-fe31e24a-8
0.573
JOH-UNI-99d163e5-6
0.570
MAR-UCB-fd2e172f-21
0.567
MAR-UCB-fd2e172f-27
0.566
PET-UNK-81b485b5-11
0.565
PET-UNK-81b485b5-25
0.565
PET-UNK-824b5c6a-1
0.564
PET-UNK-3bb57da2-2
0.562
MAR-UCB-fd2e172f-36
0.560
PET-UNK-824b5c6a-3
0.559
EDJ-MED-ee742daa-1
0.557
ALP-POS-e6e0c683-2
0.556
MAR-UCB-fd2e172f-22
0.556
JOH-UNI-99d163e5-2
0.556
DAR-DIA-e7614d05-2
0.554
ALP-POS-93b3621f-1
0.554
DAR-DIA-e7614d05-3
0.554
PET-UNK-bcc8fd08-1
0.554
DAR-DIA-e7614d05-1
0.554
EDG-MED-4c68219f-12
0.553
RAL-THA-58fba2bc-2
0.553
ALP-POS-e6e0c683-1
0.550
MAR-UCB-fd2e172f-2
0.550
PET-UNK-10c83c8b-1
0.549
PET-UNK-824b5c6a-2
0.548
PET-UNK-acd70dee-1
0.547
PET-UNK-5d7c542f-3
0.546
MAR-UCB-fd2e172f-14
0.545
MAR-UCB-fd2e172f-29
0.545
MAR-UCB-fd2e172f-34
0.545