Molecular Properties | |
SMILES: | Cc1cc(C(=O)Nc2cnccc2SCCCO)c(C)o1 |
MW: | 306.1 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 75.36 |
cLogP: | 3.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8064843490 |
MolPort: | MolPort-028-278-230 |
Aliphatic long chain
MAR-TRE-74c6519b-76
0.653
MAK-UNK-f203cb68-17
0.301
JAN-GHE-83b26c96-10
0.297
MAK-UNK-f203cb68-22
0.294
JAN-GHE-83b26c96-5
0.292
TRY-UNI-714a760b-18
0.292
TRY-UNI-2eddb1ff-4
0.292
JAN-GHE-83b26c96-4
0.292
TRY-UNI-2eddb1ff-5
0.292
MAK-UNK-6ca90168-26
0.289
MAK-UNK-f203cb68-16
0.287
MAK-UNK-f203cb68-21
0.284
MAK-UNK-f203cb68-15
0.284
JOH-IMS-d6628593-4
0.281
SAM-UNK-2684b532-7
0.281
MAT-POS-1e5f28a7-1
0.280
SAM-UNK-2684b532-5
0.280
JAN-GHE-83b26c96-9
0.275
EDG-MED-0da5ad92-5
0.275
BAR-COM-0f94fc3d-49
0.274
TRY-UNI-2eddb1ff-3
0.270
JAN-GHE-83b26c96-2
0.269
MAT-POS-590ac91e-11
0.268
MAT-POS-590ac91e-13
0.268
DAR-DIA-0cde14eb-12
0.268
EDG-MED-0da5ad92-10
0.267
JAN-GHE-83b26c96-22
0.267
SAM-UNK-2684b532-6
0.266
MAK-UNK-f203cb68-2
0.265
BEN-DND-93268d01-3
0.264
MAK-UNK-f203cb68-20
0.264
SAD-SAT-cefd50cc-10
0.260
JAN-GHE-83b26c96-8
0.260
SAM-UNK-2684b532-1
0.260
MAK-UNK-6435e6c2-8
0.260
AAR-POS-d2a4d1df-3
0.260
MAK-UNK-6ca90168-27
0.260
MAK-UNK-f203cb68-4
0.260
MAK-UNK-f203cb68-11
0.259
PET-SGC-6e7c5dc0-1
0.259
MAT-POS-590ac91e-6
0.259
BAR-COM-0f94fc3d-19
0.258
WIL-MOD-03b86a88-3
0.258
AHN-SAT-202241f6-1
0.256
TRY-UNI-714a760b-17
0.256
DAR-DIA-0cde14eb-11
0.255
ALE-HEI-f28a35b5-12
0.253
JOH-IMS-d6628593-1
0.253
ALE-HEI-f28a35b5-3
0.253
MAK-UNK-f203cb68-18
0.253
TRY-UNI-714a760b-22
0.253
BAR-COM-0f94fc3d-38
0.253
MAK-UNK-f203cb68-3
0.253
SAD-SAT-7d5528d9-4
0.252
JAN-GHE-83b26c96-3
0.250
MAT-POS-5d20d11c-1
0.250
CHR-SOS-7098f804-10
0.250
JOH-IMS-d6628593-3
0.250
NAT-WAB-78d8bb1c-1
0.250
ALE-HEI-f28a35b5-10
0.250
EDJ-MED-c9f55a56-1
0.250
MAT-POS-590ac91e-4
0.250
MAT-POS-590ac91e-16
0.250
MAT-POS-590ac91e-24
0.250
MAK-UNK-f203cb68-13
0.248
MAK-UNK-f203cb68-19
0.248
JOH-IMS-d6628593-5
0.247
JAN-GHE-83b26c96-23
0.247
ALP-POS-95b75b4d-9
0.247
ALE-HEI-f28a35b5-11
0.247
BEN-DND-6de5dfa0-10
0.247
ERI-UCB-5b47150d-1
0.247
MAT-POS-590ac91e-1
0.247
MAT-POS-590ac91e-2
0.247
ASH-SAT-43770c7d-9
0.247
ALP-POS-ddb41b15-1
0.246
VLA-UCB-05e51b3f-2
0.245
NAU-LAT-a5c7d7cb-3
0.245
SAM-UNK-2684b532-3
0.245
NAT-WAB-78d8bb1c-2
0.245
TRY-UNI-9f475305-3
0.245
DAR-DIA-0cde14eb-10
0.245
MAK-UNK-f203cb68-14
0.245
RAL-THA-6b94ceba-16
0.245
TRY-UNI-714a760b-15
0.245
TRY-UNI-714a760b-6
0.244
EDJ-MED-e58735b6-2
0.244
JAN-GHE-83b26c96-13
0.244
BEN-DND-93268d01-14
0.244
MAK-UNK-6ca90168-29
0.244
MAK-UNK-f203cb68-12
0.243
DAR-DIA-0cde14eb-27
0.243
LON-WEI-0a73fcb8-7
0.243
CHA-KIN-f512e507-1
0.243
DAR-DIA-0cde14eb-13
0.242
BEN-DND-09b88bf4-8
0.242
EDG-MED-0da5ad92-3
0.242
MAK-UNK-372b0df5-3
0.242
EDG-MED-0da5ad92-19
0.242
CHR-SOS-7098f804-21
0.241