Molecule Details
| Molecular Properties | |
| SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C2(CNC(=O)N(c3cncc4ccccc34)C2=O)C1 |
| MW: | 463.14 |
| Fraction sp3: | 0.25 |
| HBA: | 5 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 94.64 |
| cLogP: | 2.44 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
PET-UNK-eeb64427-5
1.000
JOH-MSK-1f2dff76-1
0.710
JOH-MSK-1f2dff76-2
0.710
MAT-POS-1bed62cf-3
0.710
PET-UNK-eeb64427-4
0.683
PET-UNK-eeb64427-1
0.683
PET-UNK-4c71d490-1
0.664
PET-UNK-4c71d490-5
0.664
LUO-POS-868e8996-11
0.650
MAT-POS-c7726e07-5
0.650
LUO-POS-868e8996-12
0.650
MAT-POS-c7726e07-6
0.650
EDJ-MED-8bb691af-4
0.650
VLA-MRT-a639d434-1
0.644
MAT-POS-ddfe83c6-4
0.644
VLA-MRT-8c78ee15-3
0.644
LUO-POS-e1dab717-18
0.629
ALP-POS-133e7cd9-1
0.623
LUO-POS-e1dab717-17
0.617
PET-UNK-94036022-14
0.613
PET-UNK-94036022-7
0.613
PET-UNK-143b31ee-2
0.611
PET-UNK-143b31ee-5
0.611
PET-UNK-eeb64427-6
0.606
PET-UNK-eeb64427-3
0.606
MIC-UNK-eb20c3e1-1
0.602
MAT-POS-ddfe83c6-5
0.593
PET-UNK-4c71d490-2
0.588
PET-UNK-4c71d490-6
0.588
EDJ-MED-24007d8a-1
0.582
VLA-UNK-c65c1026-4
0.574
VLA-MRT-8c78ee15-4
0.570
VLA-MRT-a639d434-2
0.570
MAT-POS-ddfe83c6-6
0.564
MIK-ENA-4a1c9a78-1
0.558
MIK-ENA-1494235a-1
0.558
MIK-ENA-4ed700b1-1
0.558
MAT-POS-50a80394-5
0.555
MAT-POS-50a80394-7
0.555
LUO-POS-f7b1afe6-4
0.555
LUO-POS-f7b1afe6-3
0.550
MAT-POS-ddfe83c6-3
0.550
MAT-POS-69786b79-3
0.549
MAT-POS-38eb6498-5
0.548
BRU-THA-ae0174a8-1
0.544
ALP-POS-ecbed2ba-14
0.544
MAT-POS-e75f6e44-1
0.544
MAT-POS-e75f6e44-6
0.543
LUO-POS-e1dab717-19
0.541
MAT-POS-50a80394-4
0.541
PET-UNK-df7eb4e6-2
0.540
PET-UNK-df7eb4e6-6
0.540
EDJ-MED-6b23330e-2
0.539
MAT-POS-e75f6e44-4
0.539
EDJ-MED-6b23330e-5
0.539
EDJ-MED-6b23330e-1
0.539
EDJ-MED-6b23330e-7
0.539
VLA-UNK-c65c1026-6
0.538
MAT-POS-50a80394-6
0.535
EDJ-MED-6b23330e-4
0.534
MAT-POS-e75f6e44-7
0.534
MAT-POS-e75f6e44-17
0.534
EDJ-MED-8bb691af-1
0.532
EDJ-MED-8bb691af-3
0.532
MAT-POS-ddfe83c6-2
0.531
ALP-POS-ecbed2ba-12
0.530
MAT-POS-69786b79-2
0.530
LUO-POS-b4dec3be-1
0.530
MIK-ENA-610c7cf9-1
0.530
MAT-POS-566864e2-2
0.530
MIK-ENA-4bb8c98f-1
0.530
MAT-POS-566864e2-1
0.530
MAT-POS-e75f6e44-5
0.530
LUO-POS-b4dec3be-2
0.530
MAT-POS-b4d6b7fc-5
0.530
EDJ-MED-6b23330e-6
0.530
MAT-POS-e75f6e44-19
0.530
ALP-POS-c3a90b22-6
0.526
MAT-POS-e75f6e44-2
0.526
MAT-POS-e75f6e44-3
0.526
EDJ-MED-33064c06-16
0.525
MAT-POS-e75f6e44-10
0.525
VLA-UCB-34f3ed0c-12
0.523
MAT-POS-b4d6b7fc-6
0.522
MAT-POS-1d5ab790-2
0.522
EDJ-MED-b6c6ee2b-2
0.521
MAT-POS-69786b79-4
0.517
MAT-POS-e75f6e44-12
0.517
MAT-POS-e75f6e44-15
0.517
MAT-POS-e75f6e44-13
0.517
MAT-POS-e75f6e44-9
0.517
MAT-POS-e75f6e44-16
0.517
MAT-POS-e75f6e44-8
0.517
YVE-CNR-7d92d73e-1
0.514
MAT-POS-e75f6e44-11
0.513
MAT-POS-e75f6e44-14
0.513
EDJ-MED-6b23330e-3
0.512
VLA-UNK-5d8210f0-2
0.509
MAT-POS-e75f6e44-18
0.508
MAT-POS-e75f6e44-20
0.508