Molecular Properties | |
SMILES: | CN1C(=O)CC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc21 |
MW: | 365.09 |
Fraction sp3: | 0.15 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 62.3 |
cLogP: | 3.98 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-91acba05-6
0.667
RAL-THA-8416115c-2
0.667
EDG-MED-5d232de5-5
0.667
EDG-MED-5d232de5-6
0.667
MAR-UCB-6ab2ec87-6
0.663
MAR-UCB-6ab2ec87-7
0.636
DAR-DIA-0f2f46c9-12
0.629
ALP-POS-d054b76b-1
0.622
DAR-DIA-0f2f46c9-5
0.615
DAR-DIA-0f2f46c9-6
0.615
ALP-POS-966f8da6-2
0.615
DAR-DIA-0f2f46c9-4
0.615
RAL-THA-c11c1343-1
0.615
EDG-MED-5d232de5-3
0.615
EDG-MED-5d232de5-4
0.615
RAL-THA-8416115c-4
0.613
RAL-THA-4aa06b95-6
0.609
RAL-THA-8416115c-3
0.609
DAR-DIA-0f2f46c9-10
0.604
RAL-THA-4aa06b95-1
0.598
RAL-THA-4aa06b95-3
0.596
DAR-DIA-0f2f46c9-2
0.591
DAR-DIA-0f2f46c9-1
0.591
DAR-DIA-0f2f46c9-3
0.591
DAR-DIA-0f2f46c9-8
0.589
RAL-THA-4aa06b95-4
0.589
DAR-DIA-0f2f46c9-9
0.589
DAR-DIA-0f2f46c9-7
0.589
RAL-THA-4aa06b95-7
0.588
DAR-DIA-0f2f46c9-11
0.585
DAR-DIA-0f2f46c9-14
0.583
DAR-DIA-0f2f46c9-13
0.583
MIC-UNK-45817b9b-1
0.582
MAT-POS-43c25e9b-2
0.582
MAT-POS-43c25e9b-1
0.582
EDJ-MED-a6bd50ad-1
0.582
RAL-THA-4aa06b95-5
0.582
RAL-THA-4aa06b95-2
0.579
RAL-THA-8416115c-7
0.579
RAL-THA-8416115c-10
0.577
MIC-UNK-91acba05-2
0.576
EDJ-MED-eb111c00-1
0.576
PET-UNK-c0891748-6
0.576
PET-UNK-c0891748-12
0.576
RAL-THA-8416115c-8
0.573
RAL-THA-8416115c-9
0.571
ALP-POS-a577c8a2-2
0.564
RAL-THA-8416115c-1
0.556
BEN-DND-f2e727cd-6
0.553
MAT-POS-dd3ad2b5-1
0.553
ALP-POS-d054b76b-3
0.550
BEN-BAS-c2bc0d80-1
0.549
MAT-POS-f39f51fd-1
0.548
EDJ-MED-12c115cc-2
0.544
MAT-POS-f7918075-2
0.544
MAT-POS-bbbbc21a-2
0.544
EDJ-MED-12c115cc-1
0.544
ALP-POS-fe871b40-14
0.537
ALP-POS-fe871b40-13
0.536
RAL-THA-8416115c-11
0.534
ALP-UNI-b33a865d-1
0.534
RAL-THA-8416115c-6
0.534
ALP-POS-966f8da6-1
0.534
MAR-UCB-6ab2ec87-1
0.533
PET-UNK-022eab87-1
0.533
MIC-UNK-91acba05-1
0.532
ROB-UNI-322e8f70-3
0.532
MAT-POS-865c3497-1
0.532
MAT-POS-22e8b45a-1
0.532
MAT-POS-865c3497-2
0.532
MAK-UNK-8be7dca9-10
0.531
PET-UNK-162c14b2-1
0.531
EDJ-MED-0047eae5-1
0.531
MAT-POS-61f37a1a-12
0.531
EDJ-MED-eb111c00-3
0.531
PET-UNK-4d432d33-2
0.531
PET-UNK-4d432d33-6
0.531
RAL-THA-8416115c-14
0.529
ADA-UCB-dc2b944c-16
0.526
ROB-UNI-322e8f70-2
0.526
MAT-POS-fb82b63d-3
0.526
MAT-POS-2e8b2191-2
0.526
MAT-POS-dd3ad2b5-4
0.526
MAT-POS-4223bc15-19
0.526
RAL-THA-6e4c80cf-1
0.526
MAT-POS-24589f88-2
0.526
MAT-POS-24589f88-3
0.526
MAT-POS-dd3ad2b5-2
0.526
PET-UNK-9b23ef84-2
0.526
EDJ-MED-0047eae5-2
0.525
RAL-THA-8416115c-5
0.524
MIC-UNK-91acba05-3
0.521
MAT-POS-66a736cf-1
0.521
BEN-DND-f2e727cd-4
0.521
MAT-POS-d8472c4f-5
0.521
BEN-DND-f2e727cd-5
0.521
MIC-UNK-91acba05-4
0.521
MAT-POS-78e1d523-1
0.521
LUO-POS-868e8996-14
0.521
ALP-UNI-c3ef0aba-2
0.521