Molecular Properties | |
SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2[C@@H](C(=O)Nc2cncc3cc(S(C)(=O)=O)ccc23)C1 |
MW: | 486.11 |
Fraction sp3: | 0.26 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 108.47 |
cLogP: | 2.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-0186a59b-3
1.000
EDJ-MED-ede277f6-8
0.828
EDJ-MED-ede277f6-6
0.828
EDJ-MED-0186a59b-2
0.806
EDJ-MED-7889e8da-3
0.806
MAT-POS-b4d6b7fc-1
0.790
ALP-POS-6f6ae286-5
0.765
BEN-DND-f06bfa8e-2
0.765
EDJ-MED-0186a59b-1
0.765
EDJ-MED-7889e8da-1
0.765
EDJ-MED-4f4dd660-1
0.765
MAT-POS-b4d6b7fc-3
0.757
EDJ-MED-4f4dd660-3
0.750
ALP-POS-1460fd94-1
0.745
MAT-POS-4223bc15-23
0.740
MAT-POS-8293a91a-4
0.740
MAT-POS-8293a91a-5
0.740
EDJ-MED-4f4dd660-5
0.726
PET-UNK-c6bcc80b-2
0.721
PET-UNK-c6bcc80b-9
0.721
MAT-POS-2e8b2191-10
0.679
EDJ-MED-378a25ea-9
0.667
EDJ-MED-7889e8da-6
0.667
MAT-POS-13080fc6-6
0.664
MAT-POS-97ec4bd1-3
0.645
MIC-UNK-51049f1a-4
0.638
EDJ-MED-ede277f6-4
0.633
MAT-POS-5c19d660-1
0.631
EDJ-MED-0186a59b-7
0.630
MAT-POS-2e8b2191-12
0.630
EDJ-MED-ede277f6-2
0.625
EDJ-MED-ede277f6-12
0.625
MAT-POS-13080fc6-5
0.624
EDJ-MED-ede277f6-7
0.624
JOH-UNI-ededfdb6-1
0.623
EDJ-MED-c40d95bc-2
0.618
MAT-POS-4223bc15-21
0.618
MAT-POS-4223bc15-25
0.618
MAT-POS-5cd9ea36-15
0.617
MAT-POS-4223bc15-24
0.610
MAT-POS-4223bc15-22
0.610
MIC-UNK-51049f1a-3
0.609
MAT-POS-5cd9ea36-13
0.607
EDJ-MED-0186a59b-4
0.607
RAL-THA-ee48ba5f-5
0.606
EDJ-MED-c82a5324-2
0.606
EDJ-MED-c82a5324-3
0.606
NIR-WEI-dcc3321b-6
0.600
EDJ-MED-fa7708b3-1
0.583
RAL-THA-ee48ba5f-1
0.583
JOH-UNI-ededfdb6-4
0.579
PET-UNK-c671f938-7
0.578
RAL-THA-ee48ba5f-2
0.578
PET-UNK-c671f938-3
0.578
RAL-THA-ee48ba5f-4
0.570
JOH-UNI-ededfdb6-9
0.569
EDJ-MED-e9a22d5d-1
0.566
MAT-UNK-f490e871-1
0.564
EDJ-MED-d165ed91-4
0.561
EDJ-MED-e69ed63d-12
0.561
EDJ-MED-c99b2211-4
0.561
PET-UNK-03fd2068-4
0.561
MAT-POS-4223bc15-27
0.561
EDJ-MED-378a25ea-11
0.560
PET-UNK-162c14b2-1
0.557
MAT-POS-61f37a1a-12
0.557
EDJ-MED-e69ed63d-8
0.557
MAT-UNK-35705829-1
0.555
EDJ-MED-41558c53-2
0.554
EDJ-MED-d165ed91-1
0.554
MAT-POS-24589f88-3
0.552
MAT-POS-24589f88-2
0.552
MAT-POS-dd3ad2b5-4
0.552
EDJ-MED-e69ed63d-2
0.552
MAT-POS-4223bc15-6
0.551
MAT-UNK-04ae9652-1
0.550
EDJ-MED-41558c53-10
0.550
NIR-WEI-dcc3321b-4
0.549
EDJ-MED-e69ed63d-4
0.547
MIC-UNK-482af05e-2
0.546
MAT-POS-4223bc15-26
0.546
NIR-WEI-dcc3321b-5
0.545
MAT-POS-4223bc15-28
0.545
JOH-UNI-ededfdb6-2
0.545
EDJ-MED-c40d95bc-1
0.543
EDJ-MED-c99b2211-3
0.542
EDJ-MED-e69ed63d-14
0.542
EDJ-MED-e69ed63d-16
0.542
NIR-WEI-dcc3321b-1
0.541
EDJ-MED-41558c53-12
0.540
RAL-THA-ee48ba5f-6
0.540
CLI-TLC-36f34aa2-1
0.540
EDJ-MED-d165ed91-3
0.538
EDJ-MED-e69ed63d-5
0.538
EDJ-MED-e69ed63d-10
0.538
FRA-DIA-6238d354-2
0.537
MAT-POS-4223bc15-1
0.537
MIC-UNK-482af05e-1
0.536
EDJ-MED-009f762b-5
0.536
EDG-MED-ee636701-1
0.535