Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3cc(F)ccc23)CCOc2ccc(Cl)cc21 |
MW: | 386.08 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 60.45 |
cLogP: | 4.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-03fd2068-11
PET-UNK-03fd2068-5
PET-UNK-03fd2068-2
PET-UNK-03fd2068-10
PET-UNK-03fd2068-9
PET-UNK-03fd2068-8
PET-UNK-03fd2068-7
PET-UNK-03fd2068-4
PET-UNK-03fd2068-6
PET-UNK-03fd2068-3
PET-UNK-03fd2068-1
PET-UNK-bcc8fd08-4
PET-UNK-bcc8fd08-3
PET-UNK-bcc8fd08-1
PET-UNK-bcc8fd08-6
PET-UNK-bcc8fd08-5
PET-UNK-bcc8fd08-2
ALP-POS-6f6ae286-3
1.000
PET-UNK-bcc8fd08-3
0.769
EDJ-MED-611d11e7-4
0.761
MAT-POS-a5ef2d74-2
0.761
MAT-POS-ec6d90b7-4
0.761
PET-UNK-5d7c542f-2
0.758
ALP-POS-93b3621f-4
0.750
PET-UNK-03fd2068-8
0.747
EDJ-MED-d08626de-2
0.730
EDG-MED-0e5afe9d-3
0.730
EDJ-MED-d08626de-1
0.730
PET-UNK-29afea89-2
0.730
EDJ-MED-6bf93aa8-1
0.716
EDG-MED-10fcb19e-2
0.716
PET-UNK-b38839dc-19
0.710
MIC-UNK-7f86385f-1
0.708
EDJ-MED-1b46f08e-1
0.708
PET-UNK-ee8352fa-2
0.702
PET-UNK-f4e47ebd-19
0.699
MIC-UNK-7f86385f-2
0.694
PET-UNK-81b485b5-6
0.691
PET-UNK-81b485b5-20
0.691
MIC-UNK-7f86385f-4
0.690
PET-UNK-a7639856-2
0.688
PET-UNK-b38839dc-20
0.674
MIC-UNK-7f86385f-3
0.673
MAT-POS-a5ef2d74-3
0.667
EDJ-MED-611d11e7-10
0.667
PET-UNK-f4e47ebd-17
0.667
PET-UNK-407a74a5-15
0.667
MIC-UNK-7f86385f-5
0.667
PET-UNK-407a74a5-10
0.663
PET-UNK-a7639856-3
0.653
PET-UNK-ee8352fa-3
0.649
EDJ-MED-611d11e7-7
0.646
MAT-POS-24589f88-1
0.646
MAT-POS-96f51285-1
0.646
PET-UNK-ee8352fa-1
0.646
ALP-POS-93b3621f-3
0.643
EDJ-MED-611d11e7-1
0.639
MAT-POS-96f51285-2
0.639
PET-UNK-4b4f2bb7-5
0.639
PET-UNK-f4e47ebd-18
0.639
PET-UNK-b566c0b0-1
0.639
ALP-POS-6f6ae286-2
0.639
PET-UNK-0df12184-5
0.638
MAR-UCB-fd2e172f-24
0.638
PET-UNK-b78139fa-14
0.632
PET-UNK-0df12184-1
0.632
ALF-EVA-82cf4849-11
0.630
MAR-UCB-fd2e172f-41
0.628
PET-UNK-b38839dc-18
0.628
PET-UNK-0df12184-2
0.628
MAR-UCB-fd2e172f-31
0.625
ALF-EVA-82cf4849-13
0.624
ALF-EVA-82cf4849-8
0.620
PET-UNK-0df12184-3
0.615
EDG-MED-10fcb19e-1
0.614
EDG-MED-10fcb19e-3
0.614
PET-UNK-a7639856-1
0.614
ALF-EVA-82cf4849-12
0.612
PET-UNK-c761fc18-1
0.608
JOH-UNI-6e27fddc-1
0.608
MAR-UCB-fd2e172f-43
0.606
PET-UNK-c761fc18-5
0.604
PET-UNK-0df12184-4
0.604
JOH-UNI-99d163e5-2
0.604
MAR-UCB-fd2e172f-25
0.604
ALP-POS-5de921e7-1
0.602
JOH-UNI-99d163e5-6
0.602
EDG-MED-10fcb19e-5
0.602
MAR-UCB-fd2e172f-28
0.600
PET-UNK-6e612674-5
0.594
PET-UNK-6e612674-13
0.594
MAR-UCB-fd2e172f-20
0.592
MAR-UCB-fd2e172f-13
0.590
PET-UNK-6e612674-9
0.590
PET-UNK-6e612674-1
0.590
PET-UNK-10c83c8b-1
0.580
PET-UNK-bcc8fd08-2
0.580
EDJ-MED-93390d0c-3
0.578
ALF-EVA-82cf4849-4
0.576
PET-UNK-f9b7ae87-5
0.574
MAR-UCB-6ab2ec87-3
0.573
EDJ-MED-ee742daa-1
0.573
MAR-UCB-fd2e172f-22
0.571
DAR-DIA-e7614d05-1
0.570
PET-UNK-03fd2068-7
0.570
DAR-DIA-e7614d05-2
0.570
ALP-POS-93b3621f-1
0.570
DAR-DIA-e7614d05-3
0.570
PET-UNK-03fd2068-9
0.567
MAR-UCB-fd2e172f-21
0.567
MAR-UCB-fd2e172f-27
0.566
PET-UNK-824b5c6a-1
0.564
PET-UNK-3bb57da2-3
0.563
EDJ-MED-28ec730d-3
0.562
PET-UNK-49566573-3
0.561
PET-UNK-b566c0b0-9
0.561
PET-UNK-824b5c6a-3
0.559