Molecular Properties | |
SMILES: | COc1cc2cncc(NC(=O)[C@]3(OC)CCOc4ccc(Cl)cc43)c2cn1 |
MW: | 399.1 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 82.57 |
cLogP: | 3.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-ce760d3f-3
MAT-POS-a5ef2d74-1
BEN-DND-4f474d93-1
EDJ-MED-00c1612e-1
EDJ-MED-670ad2ee-2
ADA-UCB-6c2cb422-1
MAT-POS-64942dd0-3
MAT-POS-dd3ad2b5-4
RAL-THA-2d450e86-6
PET-UNK-29afea89-2
EDJ-MED-611d11e7-10
EDJ-MED-611d11e7-12
MAT-POS-a5ef2d74-3
PET-UNK-9bf1291a-1
BEN-DND-4f474d93-2
MAT-POS-a13804f0-3
MAT-POS-b3e365b9-1
MAT-POS-bb423b95-1
MAT-POS-fc9ede84-1
PET-UNK-f4e47ebd-18
0.747
PET-UNK-f4e47ebd-22
0.720
PET-UNK-5d7c542f-1
0.699
ALP-POS-6f6ae286-3
0.699
PET-UNK-b38839dc-19
0.691
PET-UNK-b38839dc-20
0.691
PET-UNK-f4e47ebd-17
0.685
EDJ-MED-611d11e7-10
0.685
MAT-POS-a5ef2d74-3
0.685
PET-UNK-29afea89-2
0.674
EDJ-MED-d08626de-2
0.674
PET-UNK-0df12184-5
0.674
MAR-UCB-fd2e172f-24
0.674
EDG-MED-0e5afe9d-3
0.674
EDJ-MED-d08626de-1
0.674
PET-UNK-ee8352fa-2
0.667
PET-UNK-ee8352fa-3
0.667
EDJ-MED-611d11e7-4
0.667
MAT-POS-ec6d90b7-4
0.667
PET-UNK-5d7c542f-2
0.667
MAT-POS-a5ef2d74-2
0.667
PET-UNK-0df12184-1
0.667
EDJ-MED-611d11e7-7
0.663
MAT-POS-96f51285-1
0.663
MAT-POS-24589f88-1
0.663
ALP-POS-93b3621f-4
0.660
PET-UNK-81b485b5-14
0.660
PET-UNK-81b485b5-28
0.660
PET-UNK-a7639856-2
0.653
EDG-MED-10fcb19e-2
0.646
EDJ-MED-6bf93aa8-1
0.646
PET-UNK-ee8352fa-1
0.646
PET-UNK-b566c0b0-4
0.646
MAR-UCB-fd2e172f-31
0.642
MIC-UNK-7f86385f-1
0.640
EDJ-MED-1b46f08e-1
0.640
MAT-POS-96f51285-2
0.639
EDJ-MED-611d11e7-1
0.639
PET-UNK-4b4f2bb7-3
0.633
PET-UNK-b78139fa-12
0.632
MAR-UCB-fd2e172f-41
0.628
PET-UNK-b38839dc-18
0.628
PET-UNK-0df12184-2
0.628
MIC-UNK-7f86385f-2
0.627
ALP-POS-93b3621f-3
0.626
MIC-UNK-7f86385f-3
0.625
PET-UNK-a7639856-3
0.621
ALF-EVA-82cf4849-8
0.620
ALP-POS-5de921e7-1
0.620
PET-UNK-0df12184-3
0.615
EDG-MED-10fcb19e-1
0.614
EDG-MED-10fcb19e-3
0.614
ALF-EVA-82cf4849-11
0.614
PET-UNK-a7639856-1
0.614
MIC-UNK-7f86385f-4
0.610
MAR-UCB-fd2e172f-20
0.608
ALF-EVA-82cf4849-13
0.608
MAR-UCB-fd2e172f-13
0.606
MAR-UCB-fd2e172f-43
0.606
PET-UNK-c761fc18-5
0.604
MAR-UCB-fd2e172f-25
0.604
PET-UNK-0df12184-4
0.604
MIC-UNK-7f86385f-5
0.604
EDG-MED-10fcb19e-5
0.602
MAR-UCB-fd2e172f-28
0.600
ALF-EVA-82cf4849-12
0.596
JOH-UNI-6e27fddc-1
0.592
PET-UNK-c761fc18-1
0.592
JOH-UNI-99d163e5-6
0.586
ALF-EVA-82cf4849-4
0.576
PET-UNK-f4e47ebd-27
0.573
MAR-UCB-fd2e172f-22
0.571
JOH-UNI-99d163e5-2
0.571
MAR-UCB-fd2e172f-21
0.567
MAR-UCB-fd2e172f-2
0.566
MAR-UCB-fd2e172f-27
0.566
MAR-UCB-fd2e172f-14
0.560
MAR-UCB-fd2e172f-34
0.560
EDJ-MED-ee742daa-1
0.557
ALP-POS-e6e0c683-2
0.556
ALP-POS-5de921e7-5
0.552
ALP-POS-e6e0c683-1
0.550
MAR-UCB-fd2e172f-29
0.545
MAR-UCB-fd2e172f-36
0.545
MAR-UCB-fd2e172f-16
0.540
MAR-UCB-fd2e172f-35
0.539
PET-UNK-f4e47ebd-4
0.539
JOH-UNI-99d163e5-4
0.539
ALP-POS-5de921e7-2
0.538
MAR-UCB-fd2e172f-26
0.534
PET-UNK-f4e47ebd-23
0.533
PET-UNK-bcc8fd08-3
0.533
MAR-UCB-fd2e172f-32
0.529
MAR-UCB-fd2e172f-12
0.529
MAR-UCB-fd2e172f-18
0.529
MAR-UCB-fd2e172f-19
0.525
MAR-UCB-fd2e172f-23
0.525
MAR-UCB-fd2e172f-1
0.520
MAR-UCB-fd2e172f-6
0.519
PET-UNK-824b5c6a-1
0.519