Molecular Properties | |
SMILES: | CNC(=O)CN1CC(C(=O)Nc2cncc3ccc(S(C)(=O)=O)cc23)c2cc(F)cc(F)c2C1=O |
MW: | 502.11 |
Fraction sp3: | 0.22 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 125.54 |
cLogP: | 1.84 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-ce467fd5-2
0.692
EDJ-MED-ce467fd5-1
0.689
EDJ-MED-827e7cb4-3
0.689
EDJ-MED-827e7cb4-4
0.606
DAR-DIA-9f765dc6-7
0.604
DAR-DIA-9f765dc6-8
0.604
DAR-DIA-9f765dc6-9
0.604
MAT-POS-e119ab4f-2
0.569
MAT-POS-c7726e07-3
0.569
MAT-POS-c7726e07-4
0.569
MAT-POS-2e8b2191-12
0.530
EDJ-MED-0186a59b-7
0.530
MAT-POS-2e8b2191-11
0.530
DAR-DIA-9f765dc6-10
0.523
DAR-DIA-9f765dc6-12
0.523
DAR-DIA-9f765dc6-11
0.523
MAT-POS-37ffad05-1
0.521
JOH-UNI-d2a12aa9-2
0.521
PET-UNK-c6bcc80b-3
0.521
PET-UNK-c6bcc80b-10
0.521
MAT-POS-97ec4bd1-4
0.509
MAT-POS-64942dd0-1
0.504
EDJ-MED-827e7cb4-2
0.500
FRA-DIA-6238d354-2
0.495
MAT-POS-c7726e07-2
0.491
MAT-POS-e119ab4f-1
0.491
EDJ-MED-0186a59b-5
0.491
MAT-POS-c7726e07-1
0.491
EDJ-MED-015fb6b4-3
0.491
EDJ-MED-015fb6b4-2
0.487
MAT-POS-a54ce14d-2
0.487
MAT-POS-a54ce14d-3
0.487
MAT-POS-acfe5bae-2
0.487
EDJ-MED-75baa495-3
0.483
BEN-DND-a02b439d-11
0.482
JOH-UNI-d2a12aa9-4
0.476
MAT-POS-b4d6b7fc-2
0.475
LUO-POS-74179f4f-1
0.474
EDJ-MED-0186a59b-6
0.474
LUO-POS-edefcc0e-1
0.474
MAT-POS-13080fc6-4
0.471
EDJ-MED-d165ed91-4
0.471
EDJ-MED-c99b2211-4
0.471
EDJ-MED-e69ed63d-12
0.471
MAT-POS-96f51285-4
0.469
EDJ-MED-611d11e7-3
0.469
EDJ-MED-827e7cb4-1
0.469
EDJ-MED-c4e42105-2
0.468
ALP-UNI-8d415491-5
0.460
EDJ-MED-611d11e7-2
0.460
EDJ-MED-378a25ea-10
0.460
MAT-POS-b4d6b7fc-4
0.460
EDJ-MED-827e7cb4-9
0.457
JOH-UNI-d2a12aa9-1
0.456
EDJ-MED-e69ed63d-16
0.456
ALP-POS-e6e0c683-4
0.452
PET-UNK-1e13ef09-2
0.452
EDJ-MED-e69ed63d-8
0.444
BEN-DND-c852c98b-5
0.442
ERI-UCB-8d4e5055-4
0.442
EDJ-MED-e69ed63d-2
0.440
MAT-POS-13080fc6-2
0.439
BEN-DND-a02b439d-10
0.439
JOH-UNI-d2a12aa9-3
0.438
EDJ-MED-e69ed63d-18
0.438
EDJ-MED-e69ed63d-4
0.437
MAT-POS-2e8b2191-10
0.435
RAL-THA-a9c31980-4
0.433
EDJ-MED-c99b2211-2
0.433
MIC-UNK-51049f1a-2
0.433
EDJ-MED-e69ed63d-14
0.433
EDJ-MED-c99b2211-3
0.433
EDJ-MED-ce467fd5-3
0.432
EDJ-MED-93390d0c-1
0.431
MAT-POS-1a13cd81-1
0.431
MIC-UNK-51049f1a-1
0.431
EDG-MED-9fc99cca-1
0.431
EDJ-MED-e69ed63d-11
0.431
EDJ-MED-c4e42105-1
0.431
EDJ-MED-e69ed63d-10
0.430
EDJ-MED-e69ed63d-5
0.430
EDJ-MED-d165ed91-3
0.430
EDJ-MED-75baa495-2
0.423
MIK-ENA-5d9157e9-3
0.421
MIK-ENA-5d9157e9-4
0.421
EDJ-MED-0186a59b-8
0.421
PET-UNK-c6bcc80b-2
0.421
PET-UNK-c6bcc80b-9
0.421
EDJ-MED-7889e8da-5
0.419
EDJ-MED-0186a59b-3
0.419
PET-UNK-03fd2068-3
0.410
LUO-POS-868e8996-4
0.410
RAL-THA-a9c31980-1
0.410
LUO-POS-868e8996-3
0.410
EDJ-MED-e69ed63d-15
0.409
EDJ-MED-343bb62d-1
0.408
EDJ-MED-e69ed63d-7
0.408
MAT-POS-97ec4bd1-3
0.408
EDJ-MED-43f8f7d6-3
0.407
RAL-THA-a9c31980-3
0.407