Molecular Properties | |
SMILES: | CNC(=O)CN1CC(C(=O)Nc2cncc3ccc(S(C)(=O)=O)cc23)c2cc(Cl)c(F)cc2C1=O |
MW: | 518.08 |
Fraction sp3: | 0.22 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 125.54 |
cLogP: | 2.35 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-827e7cb4-3
0.740
EDJ-MED-ce467fd5-1
0.740
EDJ-MED-015fb6b4-3
0.735
EDJ-MED-ce467fd5-4
0.692
MAT-POS-64942dd0-1
0.604
MAT-POS-c7726e07-3
0.598
MAT-POS-c7726e07-4
0.598
MAT-POS-e119ab4f-2
0.598
JOH-UNI-d2a12aa9-2
0.574
EDJ-MED-0186a59b-7
0.571
MAT-POS-2e8b2191-12
0.571
MAT-POS-2e8b2191-11
0.570
MAT-POS-96f51285-4
0.566
EDJ-MED-611d11e7-3
0.566
PET-UNK-c6bcc80b-10
0.560
MAT-POS-37ffad05-1
0.560
PET-UNK-c6bcc80b-3
0.560
MAT-POS-97ec4bd1-4
0.549
BEN-DND-a02b439d-11
0.537
MAT-POS-a54ce14d-3
0.527
EDJ-MED-015fb6b4-2
0.527
MAT-POS-a54ce14d-2
0.527
MAT-POS-acfe5bae-2
0.527
EDJ-MED-827e7cb4-2
0.527
FRA-DIA-6238d354-2
0.523
DAR-DIA-9f765dc6-8
0.518
DAR-DIA-9f765dc6-9
0.518
DAR-DIA-9f765dc6-7
0.518
MAT-POS-e119ab4f-1
0.518
MAT-POS-c7726e07-2
0.518
EDJ-MED-0186a59b-5
0.518
MAT-POS-c7726e07-1
0.518
LUO-POS-74179f4f-1
0.514
LUO-POS-edefcc0e-1
0.514
EDJ-MED-0186a59b-6
0.514
MAT-POS-b4d6b7fc-2
0.513
JOH-UNI-d2a12aa9-4
0.512
EDJ-MED-75baa495-3
0.509
MAT-POS-13080fc6-4
0.508
MAT-POS-b4d6b7fc-4
0.496
EDJ-MED-d165ed91-4
0.496
EDJ-MED-c99b2211-4
0.496
EDJ-MED-e69ed63d-12
0.496
DAR-DIA-9f765dc6-11
0.496
DAR-DIA-9f765dc6-12
0.496
DAR-DIA-9f765dc6-10
0.496
EDJ-MED-c4e42105-2
0.492
JOH-UNI-d2a12aa9-1
0.492
EDJ-MED-e69ed63d-16
0.492
EDJ-MED-ce467fd5-3
0.492
BEN-DND-a02b439d-10
0.491
EDJ-MED-611d11e7-2
0.486
ALP-UNI-8d415491-5
0.486
EDJ-MED-827e7cb4-1
0.482
EDJ-MED-827e7cb4-9
0.480
EDJ-MED-e69ed63d-8
0.479
PET-UNK-1e13ef09-2
0.478
ALP-POS-e6e0c683-4
0.478
EDJ-MED-e69ed63d-2
0.475
MAT-POS-13080fc6-2
0.475
MAT-POS-64942dd0-2
0.474
PET-UNK-03fd2068-5
0.474
EDJ-MED-e69ed63d-18
0.472
EDJ-MED-378a25ea-10
0.472
EDJ-MED-e69ed63d-4
0.472
BEN-DND-c852c98b-5
0.468
ERI-UCB-8d4e5055-4
0.468
EDJ-MED-c99b2211-3
0.468
EDJ-MED-e69ed63d-14
0.468
MIC-UNK-51049f1a-1
0.467
EDJ-MED-827e7cb4-4
0.465
EDJ-MED-c4e42105-1
0.465
EDJ-MED-e69ed63d-5
0.464
EDJ-MED-d165ed91-3
0.464
EDJ-MED-e69ed63d-10
0.464
JOH-UNI-d2a12aa9-3
0.460
MIC-UNK-51049f1a-2
0.458
RAL-THA-a9c31980-4
0.458
EDJ-MED-c99b2211-2
0.458
EDJ-MED-0186a59b-8
0.458
MIK-ENA-5d9157e9-3
0.458
MIK-ENA-5d9157e9-4
0.458
EDJ-MED-93390d0c-1
0.456
MAT-POS-1a13cd81-1
0.456
MIC-UNK-54748b58-4
0.454
EDJ-MED-eb111c00-4
0.448
LUO-POS-868e8996-3
0.445
LUO-POS-868e8996-4
0.445
RAL-THA-a9c31980-1
0.445
EDJ-MED-343bb62d-1
0.444
EDJ-MED-e69ed63d-11
0.443
RAL-THA-a9c31980-3
0.442
JOH-UNI-6b98e24c-1
0.442
EDJ-MED-43f8f7d6-3
0.442
MAT-POS-e119ab4f-3
0.442
MAT-POS-64942dd0-3
0.440
EDG-MED-9fc99cca-2
0.439
PET-UNK-f860268d-2
0.439
PET-UNK-f860268d-5
0.439
RAL-THA-a9c31980-6
0.438