Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3cc(C#N)ccc23)CN(S(=O)(=O)N(C)C)Cc2ccc(Cl)cc21 |
MW: | 499.11 |
Fraction sp3: | 0.26 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 115.63 |
cLogP: | 2.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-f4e47ebd-25
PET-UNK-b1ef24dc-29
EDJ-MED-d2def222-2
JIN-POS-6dc588a4-22
RUB-POS-1325a9ea-13
PET-UNK-88d26eaf-1
RUB-POS-1325a9ea-12
EDJ-MED-d2def222-1
PET-UNK-9bf1291a-3
PET-UNK-6314f867-2
PET-UNK-b1ef24dc-1
PET-UNK-b1ef24dc-4
PET-UNK-b1ef24dc-33
RUB-POS-1325a9ea-14
PET-UNK-c65ea24c-1
0.812
PET-UNK-b566c0b0-9
0.788
EDJ-MED-cf877e1d-2
0.773
PET-UNK-88d26eaf-1
0.773
PET-UNK-b566c0b0-8
0.723
PET-UNK-c65ea24c-13
0.720
PET-UNK-b38839dc-25
0.718
PET-UNK-b38839dc-26
0.712
PET-UNK-c65ea24c-9
0.654
PET-UNK-c65ea24c-12
0.654
PET-UNK-b38839dc-24
0.642
PET-UNK-c65ea24c-10
0.636
PET-UNK-c65ea24c-8
0.636
PET-UNK-03fd2068-9
0.632
PET-UNK-c65ea24c-11
0.626
PET-UNK-ad758083-2
0.618
PET-UNK-9bf1291a-1
0.615
MIC-UNK-ea4eb352-2
0.615
ALP-POS-5290f14d-1
0.615
PET-UNK-6da3dcd8-15
0.609
PET-UNK-757f8bc8-4
0.600
PET-UNK-0d6841fa-2
0.593
PET-UNK-6da3dcd8-18
0.590
PET-UNK-6da3dcd8-5
0.588
PET-UNK-b38839dc-22
0.582
PET-UNK-f4e47ebd-24
0.579
PET-UNK-757f8bc8-1
0.579
PET-UNK-757f8bc8-3
0.577
EDJ-MED-841e0cf0-3
0.574
EDJ-MED-670ad2ee-3
0.574
PET-UNK-5d7c542f-2
0.574
EDJ-MED-923a35c2-5
0.574
EDJ-MED-b1cef252-2
0.574
PET-UNK-6da3dcd8-8
0.574
MAT-POS-89bd6af1-2
0.574
MAT-POS-83a7b0a0-2
0.574
PET-UNK-b38839dc-23
0.568
PET-UNK-f4e47ebd-27
0.564
PET-UNK-757f8bc8-2
0.557
PET-UNK-f4e47ebd-25
0.550
EDJ-MED-923a35c2-1
0.550
FRA-DIA-6238d354-1
0.550
PET-UNK-9bf1291a-5
0.545
PET-UNK-6da3dcd8-14
0.545
PET-UNK-6da3dcd8-13
0.544
PET-UNK-f4e47ebd-26
0.540
PET-UNK-ab76d8f6-1
0.536
PET-UNK-9bf1291a-3
0.528
PET-UNK-c65ea24c-6
0.527
PET-UNK-6da3dcd8-3
0.527
PET-UNK-6da3dcd8-4
0.523
MAT-POS-83a7b0a0-1
0.514
MAT-POS-89bd6af1-4
0.514
EDJ-MED-b1cef252-1
0.514
PET-UNK-c65ea24c-3
0.514
PET-UNK-ad758083-1
0.513
EDJ-MED-e9a22d5d-2
0.513
PET-UNK-bcc8fd08-6
0.513
PET-UNK-b566c0b0-7
0.509
PET-UNK-b38839dc-21
0.504
PET-UNK-c65ea24c-2
0.504
PET-UNK-9bf1291a-4
0.504
PET-UNK-c65ea24c-4
0.500
PET-UNK-03fd2068-11
0.496
PET-UNK-c761fc18-6
0.496
PET-UNK-c65ea24c-5
0.496
PET-UNK-9b23ef84-4
0.492
PET-UNK-9b23ef84-12
0.492
PET-UNK-bcc8fd08-4
0.491
PET-UNK-9bf1291a-2
0.491
PET-UNK-c761fc18-2
0.487
PET-UNK-0d6841fa-1
0.483
PET-UNK-9b23ef84-8
0.479
EDJ-MED-841e0cf0-2
0.479
EDJ-MED-670ad2ee-2
0.479
MIC-UNK-ea4eb352-10
0.479
EDJ-MED-841e0cf0-1
0.474
EDJ-MED-670ad2ee-1
0.474
MIC-UNK-ea4eb352-6
0.474
PET-UNK-b566c0b0-1
0.470
PET-UNK-bcc8fd08-5
0.462
PET-UNK-1b92fa34-5
0.460
PET-UNK-6da3dcd8-11
0.454
PET-UNK-03fd2068-10
0.454
EDJ-MED-1b46f08e-1
0.450
PET-UNK-4d432d33-4
0.450
PET-UNK-4d432d33-8
0.450
PET-UNK-6da3dcd8-12
0.448
PET-UNK-6e612674-6
0.447
PET-UNK-6e612674-14
0.447
PET-UNK-757f8bc8-11
0.444
PET-UNK-c65ea24c-18
0.443
PET-UNK-c65ea24c-15
0.443
PET-UNK-6e612674-7
0.442
PET-UNK-6e612674-15
0.442
PET-UNK-f4e47ebd-28
0.442
PET-UNK-757f8bc8-7
0.438
PET-UNK-6da3dcd8-16
0.438
MAR-UCB-6ab2ec87-3
0.438
PET-UNK-6e612674-5
0.437