Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3ccn(C)c23)CCOc2ccc(Cl)cc21 |
MW: | 371.1 |
Fraction sp3: | 0.26 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 65.38 |
cLogP: | 3.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-c761fc18-1
0.708
MAR-UCB-fd2e172f-20
0.652
JOH-UNI-6e27fddc-1
0.634
PET-UNK-c761fc18-8
0.634
EDJ-MED-d08626de-1
0.630
PET-UNK-29afea89-2
0.630
PET-UNK-0df12184-4
0.630
EDG-MED-0e5afe9d-3
0.630
MAR-UCB-fd2e172f-25
0.630
EDJ-MED-d08626de-2
0.630
ALP-POS-5de921e7-1
0.629
PET-UNK-b78139fa-13
0.626
EDJ-MED-611d11e7-4
0.624
PET-UNK-f4e47ebd-17
0.624
EDJ-MED-611d11e7-10
0.624
MAT-POS-a5ef2d74-2
0.624
MAT-POS-a5ef2d74-3
0.624
MAT-POS-ec6d90b7-4
0.624
PET-UNK-c761fc18-7
0.624
PET-UNK-0df12184-3
0.624
PET-UNK-4b4f2bb7-4
0.617
PET-UNK-5d7c542f-1
0.604
EDJ-MED-611d11e7-7
0.604
MAT-POS-96f51285-1
0.604
PET-UNK-f4e47ebd-19
0.604
PET-UNK-ee8352fa-1
0.604
ALP-POS-6f6ae286-3
0.604
MAT-POS-24589f88-1
0.604
PET-UNK-b38839dc-20
0.598
PET-UNK-f4e47ebd-18
0.598
EDJ-MED-611d11e7-1
0.598
MAT-POS-96f51285-2
0.598
PET-UNK-b38839dc-19
0.598
MAR-UCB-fd2e172f-16
0.596
MAR-UCB-fd2e172f-22
0.596
PET-UNK-5d7c542f-2
0.592
PET-UNK-ee8352fa-2
0.592
PET-UNK-ee8352fa-3
0.592
MAR-UCB-fd2e172f-21
0.591
EDG-MED-10fcb19e-3
0.590
EDJ-MED-6bf93aa8-1
0.590
MAR-UCB-fd2e172f-27
0.589
PET-UNK-0df12184-1
0.589
ALP-POS-93b3621f-3
0.586
MAR-UCB-fd2e172f-30
0.586
ALP-POS-93b3621f-4
0.586
MAR-UCB-fd2e172f-41
0.585
PET-UNK-b38839dc-18
0.585
PET-UNK-0df12184-2
0.585
MAR-UCB-fd2e172f-40
0.583
MAR-UCB-fd2e172f-34
0.583
MAR-UCB-fd2e172f-29
0.583
MAR-UCB-fd2e172f-15
0.582
EDJ-MED-ee742daa-1
0.581
MAR-UCB-fd2e172f-19
0.581
ALF-EVA-82cf4849-8
0.580
PET-UNK-a7639856-2
0.580
MAR-UCB-fd2e172f-24
0.579
PET-UNK-0df12184-5
0.579
ALP-POS-e6e0c683-2
0.579
EDG-MED-10fcb19e-2
0.574
EDG-MED-10fcb19e-1
0.574
ALF-EVA-82cf4849-11
0.574
PET-UNK-a7639856-1
0.574
MAR-UCB-fd2e172f-2
0.573
ALP-POS-e6e0c683-1
0.573
ALF-EVA-82cf4849-12
0.573
ALF-EVA-82cf4849-13
0.569
MIC-UNK-7f86385f-1
0.569
EDJ-MED-1b46f08e-1
0.569
PET-UNK-a7639856-3
0.567
MAR-UCB-fd2e172f-14
0.567
MAR-UCB-fd2e172f-31
0.567
MAR-UCB-fd2e172f-36
0.567
PET-UNK-c761fc18-6
0.566
EDG-MED-10fcb19e-5
0.563
MAR-UCB-fd2e172f-23
0.562
MAR-UCB-fd2e172f-35
0.561
MAR-UCB-fd2e172f-28
0.560
ALP-POS-5de921e7-2
0.560
ALP-POS-5de921e7-5
0.559
MIC-UNK-7f86385f-2
0.558
MIC-UNK-7f86385f-3
0.557
MAR-UCB-fd2e172f-26
0.556
MAR-UCB-fd2e172f-43
0.550
MAR-UCB-fd2e172f-13
0.550
MAR-UCB-fd2e172f-12
0.550
MAR-UCB-fd2e172f-18
0.550
JOH-UNI-99d163e5-6
0.545
MIC-UNK-7f86385f-4
0.542
MAR-UCB-fd2e172f-8
0.541
MIC-UNK-7f86385f-5
0.537
ALF-EVA-82cf4849-4
0.535
EDJ-MED-d2def222-2
0.535
MAR-UCB-fd2e172f-32
0.535
MAR-UCB-fd2e172f-10
0.535
ALP-POS-5de921e7-6
0.532
JOH-UNI-99d163e5-2
0.531
MAR-UCB-fd2e172f-38
0.530
MAR-UCB-fd2e172f-1
0.525