Molecular Properties | |
SMILES: | CN(C)S(=O)(=O)N1CC[C@H](C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc21 |
MW: | 444.1 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 82.61 |
cLogP: | 3.63 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
RAL-THA-4aa06b95-1
DAR-DIA-0f2f46c9-13
1.000
DAR-DIA-0f2f46c9-6
0.800
DAR-DIA-0f2f46c9-4
0.800
DAR-DIA-0f2f46c9-5
0.800
DAR-DIA-0f2f46c9-10
0.788
DAR-DIA-0f2f46c9-2
0.770
DAR-DIA-0f2f46c9-3
0.770
DAR-DIA-0f2f46c9-1
0.770
DAR-DIA-0f2f46c9-9
0.764
DAR-DIA-0f2f46c9-8
0.764
DAR-DIA-0f2f46c9-7
0.764
RAL-THA-4aa06b95-4
0.688
ALP-POS-966f8da6-2
0.681
RAL-THA-c11c1343-1
0.681
EDG-MED-5d232de5-4
0.681
EDG-MED-5d232de5-3
0.681
DAR-DIA-0f2f46c9-12
0.678
EDG-MED-5d232de5-5
0.678
EDG-MED-5d232de5-6
0.678
RAL-THA-8416115c-2
0.678
MIC-UNK-91acba05-6
0.678
ALP-POS-d054b76b-1
0.670
RAL-THA-4aa06b95-1
0.663
RAL-THA-4aa06b95-3
0.660
RAL-THA-8416115c-3
0.656
RAL-THA-8416115c-9
0.649
RAL-THA-4aa06b95-2
0.642
RAL-THA-8416115c-4
0.642
RAL-THA-4aa06b95-6
0.638
EDJ-MED-0047eae5-2
0.633
DAR-DIA-0f2f46c9-11
0.632
MAR-UCB-6ab2ec87-7
0.630
RAL-THA-4aa06b95-5
0.626
RAL-THA-8416115c-7
0.625
RAL-THA-8416115c-10
0.622
RAL-THA-8416115c-8
0.619
RAL-THA-4aa06b95-7
0.616
MAR-UCB-6ab2ec87-6
0.602
RAL-THA-8416115c-1
0.600
ALP-POS-d054b76b-3
0.594
MIC-UNK-45817b9b-2
0.583
MAT-POS-4223bc15-2
0.580
RAL-THA-8416115c-6
0.577
RAL-THA-8416115c-11
0.577
ALP-UNI-b33a865d-1
0.577
ALP-POS-966f8da6-1
0.577
RAL-THA-8416115c-12
0.575
RAL-THA-8416115c-13
0.575
RAL-THA-8416115c-14
0.571
RAL-THA-8416115c-5
0.566
EDJ-MED-92e193ae-2
0.562
MIC-UNK-91acba05-5
0.562
ALP-POS-477dc5b7-2
0.562
EDJ-MED-92e193ae-1
0.562
EDJ-MED-0047eae5-1
0.560
VLA-UCB-1dbca3b4-15
0.552
MAT-POS-b3e365b9-1
0.552
MAT-POS-b3e365b9-2
0.552
MAT-POS-f7918075-1
0.552
EDJ-MED-2791eece-11
0.549
MAT-POS-acfe5bae-3
0.544
MAT-POS-bbbbc21a-2
0.543
EDJ-MED-12c115cc-1
0.543
EDJ-MED-12c115cc-2
0.543
MAT-POS-f7918075-2
0.543
MAT-POS-5cd9ea36-20
0.538
MAT-POS-66a736cf-1
0.536
MAT-POS-78e1d523-1
0.536
LUO-POS-868e8996-13
0.536
LUO-POS-868e8996-14
0.536
ALP-POS-477dc5b7-1
0.536
MIC-UNK-91acba05-4
0.536
MIC-UNK-91acba05-3
0.536
ALF-EVA-5b152d2f-1
0.535
MAT-POS-4223bc15-18
0.529
MAT-POS-5cd9ea36-18
0.527
PET-UNK-c0891748-4
0.525
EDJ-MED-eb111c00-1
0.525
PET-UNK-c0891748-10
0.525
MIC-UNK-91acba05-2
0.525
MAT-POS-24589f88-3
0.525
MAT-POS-dd3ad2b5-4
0.525
MAT-POS-24589f88-2
0.525
MAT-POS-5cd9ea36-19
0.523
RAL-THA-ee48ba5f-2
0.523
RAL-THA-05e671eb-3
0.520
ALP-UNI-ba800595-1
0.520
MAT-POS-5cd9ea36-16
0.519
MAR-UCB-6ab2ec87-1
0.515
MAT-POS-2e8b2191-1
0.515
EDJ-MED-eb111c00-4
0.514
PET-UNK-8f269638-1
0.514
PET-UNK-8f269638-2
0.514
ALP-POS-c56c1477-3
0.514
ADA-UCB-dc2b944c-16
0.510
ALP-POS-ce760d3f-1
0.510
MAT-POS-2e8b2191-2
0.510
MAT-POS-dd3ad2b5-2
0.510
MAT-POS-4223bc15-19
0.510
PET-UNK-9b23ef84-2
0.510