Molecular Properties | |
SMILES: | CNC(=O)N1CCC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc21 |
MW: | 394.12 |
Fraction sp3: | 0.19 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 74.33 |
cLogP: | 4.16 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-477dc5b7-2
ALP-POS-966f8da6-2
0.798
RAL-THA-c11c1343-1
0.798
EDG-MED-5d232de5-3
0.798
EDG-MED-5d232de5-4
0.798
RAL-THA-4aa06b95-1
0.776
RAL-THA-4aa06b95-4
0.761
RAL-THA-4aa06b95-2
0.750
RAL-THA-4aa06b95-5
0.728
DAR-DIA-0f2f46c9-12
0.713
EDG-MED-5d232de5-5
0.693
RAL-THA-8416115c-2
0.693
MIC-UNK-91acba05-6
0.693
EDG-MED-5d232de5-6
0.693
MAR-UCB-6ab2ec87-7
0.682
DAR-DIA-0f2f46c9-4
0.678
DAR-DIA-0f2f46c9-5
0.678
DAR-DIA-0f2f46c9-6
0.678
RAL-THA-8416115c-4
0.674
RAL-THA-8416115c-3
0.670
RAL-THA-8416115c-10
0.670
DAR-DIA-0f2f46c9-10
0.667
DAR-DIA-0f2f46c9-8
0.667
DAR-DIA-0f2f46c9-9
0.667
DAR-DIA-0f2f46c9-7
0.667
DAR-DIA-0f2f46c9-11
0.663
DAR-DIA-0f2f46c9-13
0.660
DAR-DIA-0f2f46c9-14
0.660
DAR-DIA-0f2f46c9-2
0.652
RAL-THA-4aa06b95-6
0.652
DAR-DIA-0f2f46c9-3
0.652
DAR-DIA-0f2f46c9-1
0.652
RAL-THA-8416115c-8
0.649
RAL-THA-4aa06b95-7
0.646
RAL-THA-8416115c-7
0.638
RAL-THA-8416115c-1
0.629
RAL-THA-8416115c-9
0.629
MAR-UCB-6ab2ec87-6
0.615
RAL-THA-8416115c-6
0.604
ALP-POS-d054b76b-1
0.596
MIC-UNK-45817b9b-2
0.596
ALP-UNI-b33a865d-1
0.588
RAL-THA-8416115c-11
0.588
ALP-POS-966f8da6-1
0.588
RAL-THA-8416115c-12
0.587
RAL-THA-8416115c-13
0.587
RAL-THA-8416115c-14
0.583
RAL-THA-8416115c-5
0.577
MAT-POS-dd3ad2b5-5
0.566
ALP-POS-d054b76b-3
0.559
MIC-UNK-91acba05-5
0.558
ALP-POS-477dc5b7-2
0.558
EDJ-MED-92e193ae-1
0.558
EDJ-MED-92e193ae-2
0.558
MAT-POS-b3e365b9-2
0.547
ALP-POS-477dc5b7-1
0.547
MIC-UNK-91acba05-4
0.547
MAT-POS-78e1d523-1
0.547
LUO-POS-868e8996-14
0.547
MAT-POS-66a736cf-1
0.547
MAT-POS-f7918075-1
0.547
MIC-UNK-91acba05-3
0.547
VLA-UCB-1dbca3b4-15
0.547
MAT-POS-b3e365b9-1
0.547
LUO-POS-868e8996-13
0.547
LUO-POS-3f66b338-1
0.539
EDJ-MED-43f8f7d6-1
0.539
EDJ-MED-12c4873b-4
0.539
MAT-POS-2e8b2191-7
0.534
ALF-EVA-5b152d2f-1
0.531
EDJ-MED-2791eece-12
0.530
EDJ-MED-12c4873b-3
0.529
MAR-UCB-6ab2ec87-1
0.526
EDJ-MED-a6bd50ad-1
0.526
MAT-POS-43c25e9b-2
0.526
MAT-POS-43c25e9b-1
0.526
MIC-UNK-45817b9b-1
0.526
ALP-POS-a577c8a2-2
0.525
MAT-POS-f7918075-2
0.521
EDJ-MED-12c115cc-1
0.521
MAT-POS-bbbbc21a-2
0.521
EDJ-MED-12c115cc-2
0.521
EDJ-MED-eb111c00-1
0.520
ADA-UCB-dc2b944c-16
0.520
MAT-POS-2e8b2191-2
0.520
MIC-UNK-91acba05-2
0.520
RAL-THA-6e4c80cf-1
0.520
MAT-POS-4223bc15-19
0.520
LUO-POS-8701f4c8-1
0.519
EDJ-MED-43f8f7d6-2
0.519
EDJ-MED-12c4873b-2
0.519
RAL-THA-05e671eb-3
0.515
ALP-UNI-ba800595-1
0.515
EDJ-MED-e4b030d8-2
0.515
ALP-POS-d3acb8cc-1
0.515
MAT-POS-8a69d52e-1
0.515
MAT-POS-8a69d52e-2
0.515
ALP-POS-d3acb8cc-3
0.515
MAT-POS-8a69d52e-3
0.515
MAT-POS-dd3ad2b5-1
0.515
BEN-DND-f2e727cd-6
0.515