Molecular Properties | |
SMILES: | CNC(=O)CN1CC(C(=O)Nc2cncc3cc(F)cc(Cl)c23)c2cc(Cl)ccc2S1(=O)=O |
MW: | 510.03 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 108.47 |
cLogP: | 3.15 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
EDJ-MED-9537a89a-2
0.844
EDJ-MED-9537a89a-1
0.792
MIC-UNK-54748b58-1
0.673
EDJ-MED-75baa495-3
0.598
EDJ-MED-f9b78f78-6
0.588
EDJ-MED-94fddcec-2
0.573
EDJ-MED-75baa495-2
0.540
MIC-UNK-54748b58-4
0.536
MIC-UNK-54748b58-3
0.509
EDJ-MED-0186a59b-4
0.500
EDJ-MED-75baa495-1
0.496
MAT-POS-81ae2990-2
0.487
ALP-POS-a577c8a2-3
0.487
MIK-ENA-5d9157e9-4
0.487
MIK-ENA-5d9157e9-3
0.487
EDJ-MED-0186a59b-8
0.487
PET-UNK-5ad1c31a-1
0.487
PET-UNK-5ad1c31a-7
0.487
PET-UNK-5ad1c31a-2
0.487
PET-UNK-5ad1c31a-8
0.487
MAT-POS-81ae2990-5
0.479
MAT-POS-81ae2990-8
0.471
EDJ-MED-f9b78f78-3
0.464
ALP-POS-a577c8a2-2
0.464
MIC-UNK-51049f1a-4
0.449
EDJ-MED-c5ca5386-1
0.446
MIC-UNK-51049f1a-3
0.443
EDJ-MED-94fddcec-3
0.441
MIC-UNK-51049f1a-2
0.437
EDJ-MED-c3ea9889-4
0.437
MAT-POS-666635d5-1
0.437
MAT-POS-853c0ffa-4
0.434
MAT-POS-a334828f-2
0.434
MIC-UNK-51049f1a-1
0.434
MAT-POS-e119ab4f-3
0.433
EDJ-MED-ede277f6-5
0.431
EDJ-MED-ede277f6-9
0.423
MAT-POS-13080fc6-5
0.419
MAT-POS-e119ab4f-2
0.417
MAT-POS-c7726e07-3
0.417
MAT-POS-c7726e07-4
0.417
MAT-POS-13080fc6-6
0.416
JOH-UNI-d2a12aa9-1
0.414
EDJ-MED-0186a59b-1
0.410
ALP-POS-6f6ae286-5
0.410
EDJ-MED-7889e8da-1
0.410
BEN-DND-f06bfa8e-2
0.410
MAT-POS-13080fc6-2
0.408
MAT-POS-8293a91a-5
0.407
MAT-POS-8293a91a-4
0.407
MAT-POS-4223bc15-23
0.407
MAT-POS-13080fc6-4
0.405
ALF-EVA-ced740bd-2
0.402
PET-UNK-c6bcc80b-2
0.402
PET-UNK-c6bcc80b-9
0.402
MAT-POS-e119ab4f-1
0.398
MAT-POS-c7726e07-1
0.398
MAT-POS-c7726e07-2
0.398
EDJ-MED-0186a59b-5
0.398
JOH-UNI-d2a12aa9-3
0.397
BEN-DND-a7517465-3
0.395
MAT-POS-a54ce14d-2
0.392
EDJ-MED-0186a59b-2
0.392
EDJ-MED-015fb6b4-2
0.392
MAT-POS-a54ce14d-3
0.392
EDJ-MED-7889e8da-3
0.392
MAT-POS-acfe5bae-2
0.392
MIC-UNK-7574fcc6-2
0.389
EDJ-MED-ede277f6-11
0.388
EDJ-MED-d1555997-1
0.387
PET-UNK-b78139fa-7
0.386
MAT-POS-81ae2990-1
0.386
PET-UNK-c6bcc80b-3
0.385
PET-UNK-c6bcc80b-10
0.385
MIC-UNK-54748b58-2
0.384
EDJ-MED-3bfd841e-1
0.381
LUO-POS-74179f4f-1
0.380
LUO-POS-edefcc0e-1
0.380
EDJ-MED-0186a59b-6
0.380
MAT-POS-81ae2990-4
0.380
PET-UNK-2c6614b6-6
0.379
EDJ-MED-009f762b-5
0.379
MAT-POS-97ec4bd1-3
0.378
MAT-POS-2e8b2191-7
0.377
EDJ-MED-343bb62d-1
0.377
ROB-CAM-4c532489-1
0.375
EDJ-MED-ede277f6-3
0.374
DAR-DIA-9f765dc6-8
0.374
DAR-DIA-9f765dc6-9
0.374
DAR-DIA-9f765dc6-7
0.374
PET-UNK-b78139fa-6
0.374
EDJ-MED-827e7cb4-3
0.373
EDJ-MED-ce467fd5-1
0.373
MAT-POS-2e8b2191-10
0.372
ALP-POS-1460fd94-1
0.372
MAT-POS-b4d6b7fc-8
0.372
MAT-POS-81ae2990-7
0.372
MIC-UNK-482af05e-2
0.372
EDJ-MED-fa7708b3-1
0.371
RAL-THA-ee48ba5f-1
0.371