Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3cccc(C)c23)CCOc2ccc(Cl)cc21 |
MW: | 382.11 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 60.45 |
cLogP: | 4.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-29afea89-2
JOH-UNI-6e27fddc-7
0.730
JOH-UNI-6e27fddc-6
0.680
JOH-UNI-6e27fddc-5
0.663
PET-UNK-29afea89-2
0.652
EDG-MED-0e5afe9d-3
0.652
EDJ-MED-d08626de-1
0.652
EDJ-MED-d08626de-2
0.652
PET-UNK-c761fc18-5
0.634
MAR-UCB-fd2e172f-25
0.634
ALP-POS-5de921e7-1
0.633
MAT-POS-a5ef2d74-2
0.628
MAT-POS-ec6d90b7-4
0.628
EDJ-MED-611d11e7-4
0.628
PET-UNK-c761fc18-1
0.621
PET-UNK-0df12184-4
0.617
PET-UNK-f4e47ebd-17
0.611
PET-UNK-0df12184-3
0.611
MAT-POS-a5ef2d74-3
0.611
EDJ-MED-611d11e7-10
0.611
PET-UNK-5d7c542f-1
0.608
ALP-POS-6f6ae286-3
0.608
MAR-UCB-fd2e172f-20
0.604
PET-UNK-f4e47ebd-18
0.602
ALP-POS-e6e0c683-2
0.600
PET-UNK-ee8352fa-2
0.596
PET-UNK-ee8352fa-3
0.596
PET-UNK-5d7c542f-2
0.596
ALP-POS-e6e0c683-1
0.594
MAT-POS-96f51285-1
0.592
PET-UNK-f4e47ebd-19
0.592
EDJ-MED-611d11e7-7
0.592
MAT-POS-24589f88-1
0.592
PET-UNK-ee8352fa-1
0.592
MAT-POS-96f51285-2
0.586
EDJ-MED-611d11e7-1
0.586
PET-UNK-b38839dc-20
0.586
PET-UNK-b38839dc-19
0.586
ALP-POS-5de921e7-5
0.581
MAR-UCB-fd2e172f-21
0.579
EDG-MED-10fcb19e-1
0.578
MAR-UCB-fd2e172f-27
0.577
ALP-POS-93b3621f-4
0.574
ALP-POS-93b3621f-3
0.574
PET-UNK-b38839dc-18
0.573
MAR-UCB-fd2e172f-41
0.573
PET-UNK-0df12184-2
0.573
MIC-UNK-7f86385f-1
0.573
MAR-UCB-fd2e172f-43
0.570
ALF-EVA-82cf4849-8
0.569
PET-UNK-a7639856-2
0.569
EDJ-MED-ee742daa-1
0.568
PET-UNK-0df12184-5
0.567
MAR-UCB-fd2e172f-22
0.567
MAR-UCB-fd2e172f-24
0.567
JOH-UNI-99d163e5-6
0.566
EDG-MED-10fcb19e-3
0.563
ALF-EVA-82cf4849-11
0.563
EDG-MED-10fcb19e-2
0.563
EDJ-MED-6bf93aa8-1
0.563
PET-UNK-a7639856-1
0.563
MAR-UCB-fd2e172f-2
0.561
PET-UNK-0df12184-1
0.561
ALF-EVA-82cf4849-13
0.558
EDJ-MED-1b46f08e-1
0.558
PET-UNK-a7639856-3
0.557
MAR-UCB-fd2e172f-29
0.556
MAR-UCB-fd2e172f-36
0.556
MAR-UCB-fd2e172f-14
0.556
MAR-UCB-fd2e172f-31
0.556
MAR-UCB-fd2e172f-34
0.556
ALP-POS-5de921e7-6
0.553
EDG-MED-10fcb19e-5
0.552
JOH-UNI-99d163e5-2
0.551
MAR-UCB-fd2e172f-35
0.550
ALP-POS-5de921e7-2
0.549
ALF-EVA-82cf4849-12
0.547
MIC-UNK-7f86385f-2
0.547
MAR-UCB-fd2e172f-26
0.545
MAR-UCB-fd2e172f-30
0.544
MAR-UCB-fd2e172f-32
0.540
MAR-UCB-fd2e172f-12
0.539
MAR-UCB-fd2e172f-13
0.539
MAR-UCB-fd2e172f-18
0.539
MAR-UCB-fd2e172f-19
0.536
MAR-UCB-fd2e172f-16
0.535
MAR-UCB-fd2e172f-28
0.534
MIC-UNK-7f86385f-3
0.532
MIC-UNK-7f86385f-4
0.532
MAR-UCB-fd2e172f-1
0.530
MIC-UNK-7f86385f-5
0.527
MAR-UCB-fd2e172f-10
0.525
MAR-UCB-fd2e172f-40
0.525
ALF-EVA-82cf4849-4
0.525
ALP-POS-5de921e7-3
0.521
MAR-UCB-fd2e172f-23
0.520
MAR-UCB-fd2e172f-5
0.520
MAR-UCB-fd2e172f-38
0.520
JOH-UNI-99d163e5-4
0.520
MAR-UCB-fd2e172f-8
0.515
MAR-UCB-fd2e172f-6
0.515