Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)NC1(Oc2ccc(S(C)(=O)=O)cc2)CCCC1 |
MW: | 389.477 |
Fraction sp3: | 0.37 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 97.39 |
cLogP: | 3.26432 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_ketal
het-C-het not in ring
CHR-SOS-1f323c23-9
0.789
CHR-SOS-1f323c23-3
0.781
CHR-SOS-1f323c23-12
0.736
CHR-SOS-1f323c23-4
0.729
CHR-SOS-1f323c23-7
0.690
CHR-SOS-1f323c23-1
0.685
CHR-SOS-1f323c23-5
0.642
CHR-SOS-1f323c23-10
0.639
CHR-SOS-1f323c23-8
0.610
CHR-SOS-1f323c23-2
0.607
CHR-SOS-1f323c23-11
0.566
CHR-SOS-6c45c019-6
0.453
CHR-SOS-6c45c019-9
0.447
CHR-SOS-6c45c019-3
0.443
WAR-XCH-e55cba98-9
0.440
CHR-SOS-6c45c019-12
0.440
CHR-SOS-6c45c019-5
0.432
CHR-SOS-6c45c019-8
0.425
CHR-SOS-6c45c019-2
0.422
CHR-SOS-6c45c019-11
0.419
CHR-SOS-6c45c019-4
0.407
CHR-SOS-6c45c019-14
0.402
CHR-SOS-6c45c019-7
0.400
CHR-SOS-6c45c019-1
0.398
CHR-SOS-6c45c019-15
0.396
CHR-SOS-6c45c019-13
0.394
CHR-SOS-6c45c019-10
0.393
ALE-HEI-f28a35b5-7
0.392
TRY-UNI-714a760b-11
0.392
CHR-SOS-363cfb78-8
0.389
CHR-SOS-6c45c019-16
0.389
CHR-SOS-70e4c98a-5
0.389
ASH-UNK-40b46b30-11
0.386
DAR-DIA-0cde14eb-68
0.384
AAR-POS-d2a4d1df-3
0.382
MAK-UNK-6435e6c2-8
0.382
DAR-DIA-0cde14eb-66
0.379
DAR-DIA-0cde14eb-67
0.379
ALE-HEI-f28a35b5-13
0.377
ALE-HEI-f28a35b5-2
0.375
MAT-POS-590ac91e-9
0.375
MAT-POS-590ac91e-2
0.373
ERI-UCB-5b47150d-1
0.373
MAT-POS-590ac91e-1
0.373
ALE-HEI-f28a35b5-1
0.372
TRY-UNI-714a760b-4
0.372
MAT-POS-590ac91e-22
0.370
MAK-UNK-6ca90168-26
0.370
DAR-DIA-0cde14eb-65
0.368
DAR-DIA-0cde14eb-9
0.367
MAT-POS-590ac91e-24
0.366
NAU-LAT-3f5f3993-5
0.365
BEN-DND-6de5dfa0-3
0.365
BEN-DND-09b88bf4-3
0.365
DAR-DIA-0cde14eb-5
0.364
WAR-XCH-e55cba98-11
0.363
MAT-POS-590ac91e-6
0.362
MAT-POS-590ac91e-15
0.361
BEN-DND-22e6b372-3
0.360
SIM-DEM-f31d0e65-1
0.360
DAR-DIA-0cde14eb-6
0.360
PED-UNI-292b67d6-1
0.360
DAR-DIA-0cde14eb-7
0.360
DAR-DIA-0cde14eb-8
0.360
DAN-RED-da448e80-13
0.359
MAT-POS-590ac91e-5
0.358
NAU-LAT-3f5f3993-2
0.357
GAB-REV-70cc3ca5-20
0.357
MAK-UNK-6ca90168-27
0.356
DAR-DIA-0cde14eb-69
0.356
ASH-SAT-43770c7d-9
0.355
MAT-POS-5d20d11c-1
0.354
MAT-POS-590ac91e-16
0.354
BEN-DND-93268d01-11
0.354
MAT-POS-590ac91e-27
0.353
MAK-UNK-372b0df5-3
0.353
DAR-DIA-0cde14eb-72
0.352
DAR-DIA-0cde14eb-73
0.352
TRY-UNI-bbd40bb4-6
0.351
DAR-DIA-0cde14eb-20
0.351
MAT-POS-590ac91e-26
0.349
GAB-REV-70cc3ca5-3
0.348
BEN-DND-6de5dfa0-6
0.348
DAR-DIA-0cde14eb-71
0.348
CHR-SOS-e960e883-5
0.347
ERI-UCB-5b47150d-4
0.346
MAT-POS-590ac91e-19
0.346
TRY-UNI-714a760b-16
0.345
MAT-POS-590ac91e-21
0.345
BEN-DND-93268d01-8
0.345
JAG-UCB-cedd89ab-8
0.345
EDJ-MED-3c65e9ce-1
0.345
TRY-UNI-714a760b-12
0.345
ALE-HEI-f28a35b5-11
0.345
MAT-POS-590ac91e-3
0.345
MAT-POS-590ac91e-25
0.345
CHR-SOS-363cfb78-7
0.344
MAK-UNK-7264f48c-5
0.344
DAR-DIA-0cde14eb-22
0.343
CHR-SOS-363cfb78-6
0.343