Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)NC1(Oc2cccc(S(N)(=O)=O)c2)CCCCC1 |
MW: | 404.492 |
Fraction sp3: | 0.37 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 123.41 |
cLogP: | 2.89832 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_ketal
het-C-het not in ring
CHR-SOS-1f323c23-5
0.945
CHR-SOS-1f323c23-8
0.932
CHR-SOS-1f323c23-11
0.878
CHR-SOS-1f323c23-3
0.716
CHR-SOS-1f323c23-9
0.659
CHR-SOS-1f323c23-1
0.650
CHR-SOS-1f323c23-12
0.614
CHR-SOS-1f323c23-6
0.607
CHR-SOS-1f323c23-4
0.605
CHR-SOS-1f323c23-7
0.593
CHR-SOS-1f323c23-10
0.549
CHR-SOS-363cfb78-6
0.505
CHR-SOS-e960e883-4
0.490
CHR-SOS-e960e883-5
0.469
CHR-SOS-e960e883-6
0.463
WAR-XCH-e55cba98-9
0.461
EDJ-MED-e58735b6-3
0.449
CHR-SOS-6c45c019-2
0.442
CHR-SOS-6c45c019-5
0.436
CHR-SOS-6c45c019-3
0.432
CHR-SOS-6c45c019-6
0.426
CHR-SOS-70e4c98a-12
0.424
CHR-SOS-70e4c98a-4
0.418
CHR-SOS-6c45c019-8
0.415
CHR-SOS-6c45c019-11
0.409
CHR-SOS-6c45c019-9
0.404
CHR-SOS-6c45c019-1
0.404
CHR-SOS-6c45c019-13
0.400
CHR-SOS-70e4c98a-9
0.398
CHR-SOS-6c45c019-4
0.398
CHR-SOS-6c45c019-12
0.398
CHR-SOS-363cfb78-8
0.396
CHR-SOS-6c45c019-14
0.394
CHR-SOS-70e4c98a-7
0.392
ASH-UNK-40b46b30-10
0.390
DAR-DIA-0cde14eb-5
0.387
MIH-UNI-6b9ca91a-3
0.386
DAR-DIA-0cde14eb-6
0.383
DAR-DIA-0cde14eb-8
0.383
DAR-DIA-0cde14eb-7
0.383
ASH-UNK-40b46b30-11
0.379
CHR-SOS-6c45c019-7
0.378
DAR-DIA-0cde14eb-9
0.375
CHR-SOS-6c45c019-15
0.374
GAB-REV-70cc3ca5-3
0.372
CHR-SOS-6c45c019-10
0.371
PED-UNI-292b67d6-1
0.368
ALE-HEI-f28a35b5-2
0.368
ALE-HEI-f28a35b5-7
0.368
TRY-UNI-714a760b-11
0.368
CHR-SOS-6c45c019-16
0.367
PET-SGC-83d43576-1
0.367
GAB-REV-70cc3ca5-20
0.367
PET-SGC-d0fd10df-1
0.363
PET-SGC-05cff2e1-1
0.361
TRY-UNI-1fd04853-3
0.359
DAR-DIA-0cde14eb-20
0.359
WAR-XCH-e55cba98-11
0.357
TRY-UNI-714a760b-12
0.356
JAG-UCB-cedd89ab-8
0.356
DAR-DIA-0cde14eb-1
0.354
ALP-POS-95b75b4d-4
0.354
HAR-NEW-e34cb1ae-4
0.354
ALE-HEI-f28a35b5-13
0.353
DAR-DIA-0cde14eb-22
0.352
MAT-POS-590ac91e-9
0.352
DAR-DIA-0cde14eb-24
0.352
RAL-THA-6b94ceba-13
0.351
DAR-DIA-0cde14eb-2
0.351
DAR-DIA-0cde14eb-21
0.349
DAR-DIA-0cde14eb-23
0.349
TRY-UNI-714a760b-4
0.349
ALE-HEI-f28a35b5-1
0.349
CHR-SOS-363cfb78-5
0.349
BAR-COM-0f94fc3d-19
0.347
JAN-GHE-83b26c96-20
0.347
EDG-MED-0da5ad92-11
0.347
DAR-DIA-0cde14eb-3
0.347
DAR-DIA-0cde14eb-4
0.347
CHR-SOS-363cfb78-2
0.344
DAR-DIA-0cde14eb-66
0.344
DAR-DIA-0cde14eb-67
0.344
DAR-DIA-0cde14eb-10
0.343
DAR-DIA-0cde14eb-71
0.343
ALE-HEI-f28a35b5-11
0.341
EDJ-MED-e58735b6-1
0.340
TRY-UNI-714a760b-24
0.340
ANN-UNI-98d2bf15-5
0.340
DAR-DIA-0cde14eb-13
0.340
CHR-SOS-363cfb78-7
0.340
DAR-DIA-0cde14eb-11
0.340
DAR-DIA-0cde14eb-12
0.340
MAK-UNK-6435e6c2-8
0.338
AAR-POS-d2a4d1df-3
0.338
NAU-LAT-3f5f3993-2
0.337
ANN-UNI-98d2bf15-2
0.337
DAR-DIA-0cde14eb-14
0.337
ERI-UCB-5b47150d-1
0.333
MAT-POS-590ac91e-1
0.333
DAR-DIA-0cde14eb-65
0.333