Molecular Properties | |
SMILES: | COC1(C(=O)Nc2cncc(N)c2C)CCOc2ccc(Cl)cc21 |
MW: | 347.1 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 86.47 |
cLogP: | 2.89 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-05-04 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
aniline
ALP-POS-5de921e7-5
0.647
PET-UNK-0df12184-2
0.636
JOH-UNI-6e27fddc-1
0.633
EDJ-MED-d08626de-1
0.629
PET-UNK-0df12184-4
0.629
ALP-POS-e6e0c683-2
0.629
EDJ-MED-d08626de-2
0.629
PET-UNK-29afea89-2
0.629
EDG-MED-0e5afe9d-3
0.629
MAR-UCB-fd2e172f-22
0.629
MAR-UCB-fd2e172f-25
0.629
PET-UNK-c761fc18-5
0.629
MAR-UCB-fd2e172f-35
0.626
MAR-UCB-fd2e172f-21
0.625
PET-UNK-f4e47ebd-17
0.622
MAT-POS-ec6d90b7-4
0.622
ALP-POS-e6e0c683-1
0.622
PET-UNK-0df12184-3
0.622
MAT-POS-a5ef2d74-3
0.622
EDJ-MED-611d11e7-4
0.622
EDJ-MED-611d11e7-10
0.622
MAT-POS-a5ef2d74-2
0.622
PET-UNK-f4e47ebd-19
0.620
MAR-UCB-fd2e172f-41
0.618
PET-UNK-b38839dc-18
0.618
MAR-UCB-fd2e172f-14
0.615
MAR-UCB-fd2e172f-20
0.615
PET-UNK-c761fc18-1
0.615
EDJ-MED-ee742daa-1
0.614
MAR-UCB-fd2e172f-13
0.613
PET-UNK-b38839dc-20
0.613
MAR-UCB-fd2e172f-24
0.611
PET-UNK-0df12184-5
0.611
PET-UNK-5d7c542f-2
0.606
PET-UNK-ee8352fa-3
0.606
PET-UNK-0df12184-1
0.604
MAR-UCB-fd2e172f-27
0.604
MAR-UCB-fd2e172f-2
0.604
EDJ-MED-611d11e7-7
0.602
PET-UNK-5d7c542f-1
0.602
MAT-POS-24589f88-1
0.602
MAR-UCB-fd2e172f-26
0.602
PET-UNK-ee8352fa-1
0.602
ALP-POS-6f6ae286-3
0.602
MAT-POS-96f51285-1
0.602
MAR-UCB-fd2e172f-31
0.598
MAR-UCB-fd2e172f-29
0.598
EDJ-MED-611d11e7-1
0.596
MAR-UCB-fd2e172f-12
0.596
MAR-UCB-fd2e172f-43
0.596
PET-UNK-b38839dc-19
0.596
MAT-POS-96f51285-2
0.596
PET-UNK-f4e47ebd-18
0.596
ALF-EVA-82cf4849-8
0.594
MAR-UCB-fd2e172f-28
0.589
PET-UNK-ee8352fa-2
0.589
EDJ-MED-6bf93aa8-1
0.588
MIC-UNK-7f86385f-2
0.586
ALP-POS-93b3621f-3
0.583
ALP-POS-93b3621f-4
0.583
MAR-UCB-fd2e172f-30
0.583
MIC-UNK-7f86385f-1
0.582
MAR-UCB-fd2e172f-34
0.581
MAR-UCB-fd2e172f-36
0.581
MAR-UCB-fd2e172f-10
0.581
ALP-POS-5de921e7-6
0.580
ALP-POS-5de921e7-3
0.580
MAR-UCB-fd2e172f-18
0.579
MAR-UCB-fd2e172f-19
0.578
PET-UNK-a7639856-2
0.577
JOH-UNI-99d163e5-6
0.574
ALP-POS-5de921e7-2
0.573
EDG-MED-10fcb19e-1
0.571
EDG-MED-10fcb19e-2
0.571
EDG-MED-10fcb19e-3
0.571
PET-UNK-a7639856-1
0.571
ALF-EVA-82cf4849-11
0.571
MAR-UCB-fd2e172f-1
0.570
MAR-UCB-fd2e172f-3
0.568
ALF-EVA-82cf4849-13
0.566
EDJ-MED-1b46f08e-1
0.566
EDJ-MED-d2def222-1
0.564
MAR-UCB-fd2e172f-32
0.564
EDG-MED-10fcb19e-5
0.560
MAR-UCB-fd2e172f-23
0.559
JOH-UNI-99d163e5-2
0.559
MAR-UCB-fd2e172f-16
0.559
MAR-UCB-fd2e172f-5
0.558
ALF-EVA-82cf4849-12
0.554
MIC-UNK-7f86385f-3
0.553
MIC-UNK-7f86385f-4
0.553
PET-UNK-a7639856-3
0.549
EDJ-MED-d2def222-2
0.547
MAR-UCB-fd2e172f-40
0.547
MAR-UCB-fd2e172f-4
0.546
MAR-UCB-fd2e172f-15
0.546
MAR-UCB-fd2e172f-38
0.542
MAR-UCB-fd2e172f-8
0.537
MAR-UCB-fd2e172f-6
0.536
MIC-UNK-7f86385f-5
0.533