Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)NC1(Oc2ccc(S(N)(=O)=O)cc2)CC1 |
MW: | 362.411 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 123.41 |
cLogP: | 1.72802 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_ketal
het-C-het not in ring
CHR-SOS-1f323c23-9
0.909
CHR-SOS-1f323c23-3
0.870
CHR-SOS-1f323c23-6
0.736
CHR-SOS-1f323c23-10
0.721
CHR-SOS-1f323c23-11
0.697
CHR-SOS-1f323c23-7
0.653
CHR-SOS-1f323c23-4
0.644
CHR-SOS-1f323c23-8
0.637
CHR-SOS-1f323c23-5
0.630
CHR-SOS-1f323c23-1
0.627
CHR-SOS-1f323c23-2
0.614
CHR-SOS-363cfb78-8
0.506
GAB-REV-70cc3ca5-20
0.468
PED-UNI-292b67d6-1
0.463
GAB-REV-70cc3ca5-3
0.451
CHR-SOS-6c45c019-12
0.446
CHR-SOS-6c45c019-9
0.435
CHR-SOS-6c45c019-6
0.425
CHR-SOS-6c45c019-11
0.424
CHR-SOS-6c45c019-3
0.416
CHR-SOS-6c45c019-8
0.414
WAR-XCH-e55cba98-9
0.412
CHR-SOS-6c45c019-5
0.404
CHR-SOS-363cfb78-6
0.402
CHR-SOS-6c45c019-10
0.398
ALE-HEI-f28a35b5-2
0.397
MAT-POS-590ac91e-9
0.397
CHR-SOS-6c45c019-2
0.396
CHR-SOS-6c45c019-16
0.393
PET-SGC-83d43576-1
0.393
RAL-THA-6b94ceba-13
0.391
CHR-SOS-6c45c019-7
0.389
DAR-DIA-0cde14eb-68
0.388
MAK-UNK-6435e6c2-8
0.388
AAR-POS-d2a4d1df-3
0.388
PET-SGC-d0fd10df-1
0.387
CHR-SOS-e960e883-6
0.387
CHR-SOS-6c45c019-15
0.385
EDJ-MED-e58735b6-3
0.384
ALE-HEI-f28a35b5-13
0.382
CHR-SOS-6c45c019-4
0.380
TRY-UNI-714a760b-11
0.380
ALE-HEI-f28a35b5-7
0.380
CHR-SOS-e960e883-5
0.379
ASH-SAT-43770c7d-9
0.378
MAT-POS-590ac91e-1
0.378
ERI-UCB-5b47150d-1
0.378
MAT-POS-590ac91e-2
0.378
TRY-UNI-714a760b-4
0.377
ALE-HEI-f28a35b5-1
0.377
CHR-SOS-6c45c019-14
0.376
MAK-UNK-6ca90168-26
0.375
CHR-SOS-70e4c98a-11
0.375
ASH-UNK-40b46b30-10
0.372
CHR-SOS-6c45c019-1
0.372
DAR-DIA-0cde14eb-65
0.372
CHR-SOS-e960e883-4
0.371
DAR-DIA-0cde14eb-9
0.371
MAT-POS-590ac91e-24
0.370
CHR-SOS-6c45c019-13
0.368
ERI-UCB-5b47150d-4
0.368
MIH-UNI-6b9ca91a-3
0.368
DAR-DIA-0cde14eb-5
0.368
DAR-DIA-0cde14eb-66
0.368
DAR-DIA-0cde14eb-67
0.368
MAT-POS-590ac91e-6
0.367
ALE-HEI-f28a35b5-11
0.366
DAR-DIA-0cde14eb-7
0.364
DAR-DIA-0cde14eb-6
0.364
DAR-DIA-0cde14eb-8
0.364
NAU-LAT-3f5f3993-2
0.361
MAK-UNK-6ca90168-27
0.361
DAR-DIA-0cde14eb-69
0.360
MAT-POS-5d20d11c-1
0.359
MAT-POS-590ac91e-16
0.359
MAT-POS-590ac91e-22
0.358
MAT-POS-590ac91e-27
0.357
PET-SGC-05cff2e1-1
0.356
DAR-DIA-0cde14eb-73
0.356
MAT-POS-590ac91e-26
0.354
DAR-DIA-0cde14eb-10
0.352
MAK-UNK-7264f48c-4
0.351
CHR-SOS-70e4c98a-2
0.351
PET-SGC-6e7c5dc0-1
0.350
JAG-UCB-cedd89ab-8
0.349
TRY-UNI-714a760b-12
0.349
MAT-POS-590ac91e-3
0.349
MAT-POS-590ac91e-15
0.349
MAT-POS-590ac91e-21
0.349
SIM-DEM-f31d0e65-1
0.348
MAK-UNK-7264f48c-5
0.348
DAN-RED-da448e80-13
0.348
CHR-SOS-363cfb78-7
0.348
NAU-LAT-0543f7f2-5
0.347
ALE-HEI-f28a35b5-12
0.346
MAT-POS-590ac91e-13
0.346
MAT-POS-590ac91e-5
0.346
BEN-DND-09b88bf4-6
0.345
BEN-DND-6de5dfa0-7
0.345
DAR-DIA-0cde14eb-70
0.344