Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3ccoc23)CCOc2ccc(Cl)cc21 |
MW: | 358.07 |
Fraction sp3: | 0.22 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 73.59 |
cLogP: | 3.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-29afea89-2
PET-UNK-0df12184-4
0.685
PET-UNK-b38839dc-18
0.656
MAR-UCB-fd2e172f-41
0.656
EDJ-MED-d08626de-2
0.648
PET-UNK-29afea89-2
0.648
EDG-MED-0e5afe9d-3
0.648
EDJ-MED-d08626de-1
0.648
PET-UNK-f4e47ebd-17
0.641
EDJ-MED-611d11e7-10
0.641
MAT-POS-a5ef2d74-3
0.641
PET-UNK-0df12184-3
0.641
MAR-UCB-fd2e172f-20
0.634
JOH-UNI-6e27fddc-1
0.634
PET-UNK-c761fc18-5
0.630
ALP-POS-5de921e7-1
0.629
MAR-UCB-fd2e172f-21
0.626
EDJ-MED-611d11e7-4
0.624
MAT-POS-a5ef2d74-2
0.624
MAT-POS-ec6d90b7-4
0.624
PET-UNK-c761fc18-1
0.617
EDJ-MED-611d11e7-1
0.615
MAT-POS-96f51285-2
0.615
PET-UNK-ee8352fa-3
0.608
MAR-UCB-fd2e172f-2
0.606
ALP-POS-6f6ae286-3
0.604
EDJ-MED-611d11e7-7
0.604
PET-UNK-5d7c542f-1
0.604
MAT-POS-96f51285-1
0.604
MAT-POS-24589f88-1
0.604
PET-UNK-ee8352fa-1
0.604
PET-UNK-f4e47ebd-19
0.604
PET-UNK-b38839dc-19
0.598
PET-UNK-f4e47ebd-18
0.598
PET-UNK-b38839dc-20
0.598
EDJ-MED-ee742daa-1
0.598
PET-UNK-a7639856-2
0.596
PET-UNK-0df12184-5
0.596
MAR-UCB-fd2e172f-24
0.596
EDG-MED-10fcb19e-5
0.594
PET-UNK-5d7c542f-2
0.592
PET-UNK-ee8352fa-2
0.592
MAR-UCB-fd2e172f-27
0.589
ALP-POS-93b3621f-3
0.586
ALP-POS-93b3621f-4
0.586
PET-UNK-0df12184-2
0.585
MIC-UNK-7f86385f-1
0.584
MAR-UCB-fd2e172f-14
0.583
ALF-EVA-82cf4849-8
0.580
MAR-UCB-fd2e172f-22
0.579
ALP-POS-e6e0c683-2
0.579
PET-UNK-a7639856-1
0.574
EDG-MED-10fcb19e-3
0.574
EDG-MED-10fcb19e-1
0.574
EDG-MED-10fcb19e-2
0.574
EDJ-MED-6bf93aa8-1
0.574
ALF-EVA-82cf4849-11
0.574
ALP-POS-e6e0c683-1
0.573
PET-UNK-0df12184-1
0.573
MAR-UCB-fd2e172f-26
0.571
ALF-EVA-82cf4849-13
0.569
EDJ-MED-1b46f08e-1
0.569
MAR-UCB-fd2e172f-36
0.567
MAR-UCB-fd2e172f-29
0.567
MAR-UCB-fd2e172f-10
0.567
MAR-UCB-fd2e172f-31
0.567
MAR-UCB-fd2e172f-43
0.566
MAR-UCB-fd2e172f-12
0.566
MAR-UCB-fd2e172f-13
0.566
MAR-UCB-fd2e172f-18
0.566
MAR-UCB-fd2e172f-19
0.564
MAR-UCB-fd2e172f-35
0.561
ALP-POS-5de921e7-5
0.559
MIC-UNK-7f86385f-2
0.558
ALF-EVA-82cf4849-12
0.558
MAR-UCB-fd2e172f-30
0.554
PET-UNK-a7639856-3
0.552
MAR-UCB-fd2e172f-32
0.551
MAR-UCB-fd2e172f-34
0.551
MAR-UCB-fd2e172f-23
0.546
MAR-UCB-fd2e172f-16
0.546
JOH-UNI-99d163e5-6
0.545
ALP-POS-5de921e7-2
0.545
MAR-UCB-fd2e172f-28
0.545
MIC-UNK-7f86385f-3
0.542
MIC-UNK-7f86385f-4
0.542
MIC-UNK-7f86385f-5
0.537
MAR-UCB-fd2e172f-40
0.535
ALF-EVA-82cf4849-4
0.535
ALP-POS-5de921e7-6
0.532
JOH-UNI-99d163e5-2
0.531
JOH-UNI-99d163e5-4
0.530
MAR-UCB-fd2e172f-1
0.525
MAR-UCB-fd2e172f-8
0.525
MAR-UCB-fd2e172f-6
0.525
MAR-UCB-fd2e172f-9
0.520
EDJ-MED-d2def222-2
0.520
MAR-UCB-fd2e172f-15
0.520
JOH-UNI-99d163e5-8
0.520
ALP-POS-5de921e7-3
0.516
MAR-UCB-fd2e172f-5
0.515