Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)NC1(Oc2ccc(S(N)(=O)=O)cc2)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-1f323c23-9
0.926
CHR-SOS-1f323c23-12
0.870
CHR-SOS-1f323c23-6
0.781
CHR-SOS-1f323c23-1
0.740
CHR-SOS-1f323c23-2
0.716
CHR-SOS-1f323c23-4
0.689
CHR-SOS-1f323c23-7
0.676
CHR-SOS-1f323c23-5
0.671
CHR-SOS-1f323c23-8
0.659
CHR-SOS-1f323c23-10
0.627
CHR-SOS-1f323c23-11
0.614
CHR-SOS-363cfb78-8
0.478
CHR-SOS-6c45c019-3
0.456
WAR-XCH-e55cba98-9
0.453
GAB-REV-70cc3ca5-20
0.439
PED-UNI-292b67d6-1
0.437
CHR-SOS-6c45c019-2
0.435
CHR-SOS-6c45c019-6
0.433
CHR-SOS-6c45c019-9
0.427
GAB-REV-70cc3ca5-3
0.425
CHR-SOS-6c45c019-13
0.421
CHR-SOS-6c45c019-12
0.420
CHR-SOS-6c45c019-5
0.413
CHR-SOS-6c45c019-1
0.411
CHR-SOS-e960e883-4
0.408
CHR-SOS-6c45c019-8
0.407
CHR-SOS-6c45c019-11
0.400
CHR-SOS-6c45c019-14
0.400
CHR-SOS-6c45c019-15
0.394
TRY-UNI-714a760b-11
0.390
ALE-HEI-f28a35b5-7
0.390
CHR-SOS-6c45c019-4
0.389
CHR-SOS-70e4c98a-2
0.389
CHR-SOS-e960e883-5
0.388
CHR-SOS-6c45c019-16
0.387
ASH-UNK-40b46b30-11
0.385
CHR-SOS-6c45c019-7
0.383
CHR-SOS-363cfb78-6
0.382
CHR-SOS-e960e883-6
0.381
EDJ-MED-e58735b6-3
0.378
CHR-SOS-6c45c019-10
0.376
WAR-XCH-e55cba98-11
0.376
MAT-POS-590ac91e-9
0.373
ALE-HEI-f28a35b5-2
0.373
PET-SGC-83d43576-1
0.372
PET-SGC-d0fd10df-1
0.367
ASH-UNK-40b46b30-10
0.367
DAR-DIA-0cde14eb-68
0.367
MIH-UNI-6b9ca91a-3
0.364
DAR-DIA-0cde14eb-66
0.363
DAR-DIA-0cde14eb-67
0.363
MAK-UNK-6435e6c2-8
0.361
AAR-POS-d2a4d1df-3
0.361
ALE-HEI-f28a35b5-13
0.358
CHR-SOS-70e4c98a-11
0.355
RAL-THA-6b94ceba-13
0.355
MAT-POS-590ac91e-2
0.354
ASH-SAT-43770c7d-9
0.354
MAT-POS-590ac91e-1
0.354
ERI-UCB-5b47150d-1
0.354
ALE-HEI-f28a35b5-1
0.354
TRY-UNI-714a760b-4
0.354
BEN-DND-93268d01-11
0.353
MAT-POS-590ac91e-22
0.353
PET-SGC-05cff2e1-1
0.352
MAT-POS-590ac91e-27
0.352
DAR-DIA-0cde14eb-65
0.352
DAR-DIA-0cde14eb-9
0.351
MAK-UNK-6ca90168-26
0.351
DAR-DIA-0cde14eb-20
0.350
MAT-POS-590ac91e-24
0.349
DAR-DIA-0cde14eb-5
0.348
DAR-DIA-0cde14eb-71
0.347
MAT-POS-590ac91e-6
0.345
ALE-HEI-f28a35b5-11
0.345
TRY-UNI-714a760b-16
0.345
MAT-POS-590ac91e-15
0.345
BEN-DND-22e6b372-3
0.344
DAR-DIA-0cde14eb-6
0.344
DAR-DIA-0cde14eb-7
0.344
DAR-DIA-0cde14eb-8
0.344
DAN-RED-da448e80-13
0.344
DAR-DIA-0cde14eb-22
0.343
DAR-DIA-0cde14eb-24
0.343
MAT-POS-590ac91e-5
0.341
NAU-LAT-3f5f3993-2
0.341
BEN-DND-09b88bf4-6
0.341
BEN-DND-6de5dfa0-7
0.341
DAR-DIA-0cde14eb-69
0.340
DAR-DIA-0cde14eb-21
0.340
DAR-DIA-0cde14eb-23
0.340
MAK-UNK-6ca90168-27
0.338
MAT-POS-5d20d11c-1
0.337
MAT-POS-590ac91e-16
0.337
ALE-HEI-f28a35b5-6
0.337
EDG-MED-0da5ad92-4
0.337
TRY-UNI-714a760b-10
0.337
DAR-DIA-0cde14eb-72
0.337
DAR-DIA-0cde14eb-73
0.337
NAU-LAT-0543f7f2-8
0.337