Molecular Properties | |
SMILES: | CN1C(=O)N(c2cncc3ccccc23)C(=O)C12CN(S(=O)(=O)CC1(C#N)CC1)Cc1ccc(Cl)cc12 |
MW: | 535.11 |
Fraction sp3: | 0.31 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 114.68 |
cLogP: | 3.63 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-11-07 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
hydantoin
Hetero_hetero
MAT-POS-c2d406ed-2
1.000
MAT-POS-c2d406ed-4
0.800
EDJ-MED-cbbe2dbb-1
0.776
MIC-UNK-7b6fe9e8-1
0.776
EDJ-MED-7587a9ee-1
0.723
MAT-POS-2e8b2191-8
0.723
LUO-POS-5857a86a-1
0.667
JOH-MSK-949975c8-1
0.667
EDJ-MED-3af0740c-7
0.661
MIC-UNK-eb20c3e1-3
0.649
MIC-UNK-7b6fe9e8-3
0.647
LUO-POS-868e8996-9
0.637
LUO-POS-868e8996-10
0.637
MAT-POS-1bed62cf-1
0.637
PET-UNK-94036022-13
0.632
MIK-ENA-f156d06e-1
0.632
PET-UNK-94036022-6
0.632
MAT-POS-c2d406ed-1
0.632
EDG-MED-b6bce001-2
0.629
LUO-POS-eaf50f21-1
0.621
ALP-POS-01611061-1
0.617
LUO-POS-f7b1afe6-2
0.617
MAT-POS-50a80394-8
0.617
MAT-POS-c2d406ed-3
0.615
PET-UNK-143b31ee-1
0.615
PET-UNK-143b31ee-2
0.615
PET-UNK-143b31ee-4
0.615
PET-UNK-143b31ee-5
0.615
EDJ-MED-8bb691af-6
0.614
ALP-POS-ecbed2ba-4
0.614
MIK-ENA-5d9157e9-2
0.614
MIK-ENA-5d9157e9-1
0.614
LUO-POS-eaf50f21-2
0.613
LUO-POS-eaf50f21-4
0.613
MAT-POS-ddfe83c6-5
0.613
PET-UNK-143b31ee-3
0.610
PET-UNK-143b31ee-6
0.610
LUO-POS-b5068a05-2
0.608
LUO-POS-eaf50f21-5
0.598
LUO-POS-b5068a05-1
0.598
ALP-POS-133e7cd9-2
0.598
LUO-POS-f7b1afe6-1
0.596
ALP-POS-01611061-2
0.596
LUO-POS-eaf50f21-3
0.593
MAT-POS-50a80394-1
0.593
MIK-ENA-99706bb8-1
0.593
MIK-ENA-17e27e9c-1
0.593
MIK-ENA-623fe2a6-1
0.593
MIK-ENA-2c0ad173-1
0.593
LUO-POS-5857a86a-2
0.590
EDJ-MED-4138fde9-7
0.588
EDJ-MED-a12e3a20-1
0.586
EDJ-MED-7e491f08-1
0.586
EDG-MED-b6bce001-1
0.585
EDG-MED-00af8776-1
0.585
EDG-MED-0c930815-1
0.585
EDJ-MED-8bb691af-2
0.583
ALP-POS-01611061-3
0.581
EDJ-MED-3af0740c-6
0.580
MAT-POS-50a80394-2
0.580
MIK-ENA-be04d1d4-1
0.580
MIK-ENA-e143773d-1
0.580
MIK-ENA-edcfce18-1
0.580
MIK-ENA-0547b12c-1
0.580
ALP-POS-ecbed2ba-8
0.576
LUO-POS-e1dab717-16
0.575
MAT-POS-b3212acf-1
0.570
MAT-POS-50a80394-3
0.570
ALP-POS-ecbed2ba-15
0.567
LUO-POS-e1dab717-15
0.567
EDJ-MED-8bb691af-5
0.563
MIC-UNK-257d841f-1
0.562
MAT-POS-b3212acf-2
0.562
ALP-POS-ecbed2ba-11
0.561
ALP-POS-ecbed2ba-2
0.556
PET-UNK-94036022-11
0.551
PET-UNK-94036022-4
0.551
JOH-MSK-cef8a2bc-1
0.549
MIC-UNK-257d841f-2
0.548
MIC-UNK-c85ea37c-3
0.539
EDJ-MED-cbbe2dbb-2
0.536
EDJ-MED-3af0740c-8
0.532
PET-UNK-94036022-2
0.525
EDJ-MED-b6c6ee2b-4
0.525
PET-UNK-94036022-9
0.525
MIC-UNK-c85ea37c-1
0.523
JOH-MSK-ccc6e4c0-1
0.520
VLA-UNK-e334495f-2
0.516
VLA-UNK-61877630-8
0.516
ALP-POS-ecbed2ba-3
0.508
PET-UNK-94036022-5
0.508
PET-UNK-94036022-12
0.508
VLA-UNK-e334495f-1
0.508
VLA-UNK-61877630-7
0.508
MIC-UNK-c85ea37c-2
0.507
ALP-POS-ecbed2ba-22
0.504
ALP-POS-c56c1477-4
0.500
MAT-POS-89bd6af1-1
0.500
MAT-POS-853c0ffa-5
0.500
MAT-POS-1d5ab790-1
0.500