Molecular Properties | |
SMILES: | COC(=O)c1ccc(S(N)(=O)=O)cc1CCCCCCCS(O)(O)N1CCN(C(C)=O)CC1 |
MW: | 505.659 |
Fraction sp3: | 0.62 |
HBA: | 8 |
HBD: | 3 |
Rotatable Bonds: | 11 |
TPSA: | 150.47 |
cLogP: | 2.4433 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
I1 Aliphatic methylene chains 7 or more long
long aliphatic chain, 6+
Ester
long chain hydrocarbon
Long aliphatic chain
Unbranched chain
Hetero_hetero
MAT-POS-7dfc56d9-1
LIZ-THE-d3ff4653-2
0.440
LIZ-THE-d3ff4653-1
0.333
HEI-REL-0c990a45-4
0.330
JAN-GHE-1d98ec1c-9
0.319
JAN-GHE-1d98ec1c-5
0.312
JAN-GHE-1d98ec1c-7
0.305
LON-WEI-b8d98729-4
0.305
CHR-UNK-e061132b-1
0.304
CHR-UNK-b46452fc-1
0.304
WIL-LEE-23e8b574-7
0.303
JAN-GHE-1d98ec1c-1
0.295
MAK-UNK-6435e6c2-5
0.291
JAN-GHE-1d98ec1c-2
0.290
MIH-UNI-e573136b-4
0.290
NIM-UNI-02269248-3
0.287
MAK-UNK-6435e6c2-1
0.282
MAK-UNK-6435e6c2-6
0.282
WIL-LEE-23e8b574-1
0.279
ANT-OPE-7824651a-1
0.278
MAK-UNK-6435e6c2-11
0.274
MAK-UNK-4c6b313a-1
0.274
MAK-UNK-6435e6c2-10
0.274
ANT-OPE-7824651a-2
0.272
ALE-MCD-a1893bfb-1
0.271
HEI-REL-0c990a45-2
0.270
HEI-REL-0c990a45-1
0.267
WIL-LEE-23e8b574-4
0.267
ALE-MCD-4ac17b19-1
0.265
JAN-GHE-1d98ec1c-3
0.263
JAN-GHE-1d98ec1c-4
0.263
JAN-GHE-1d98ec1c-10
0.260
MIH-UNI-6b9ca91a-9
0.260
DAR-DIA-fb20be43-9
0.260
PED-UNI-89deb5c9-1
0.260
PET-SGC-d0fd10df-1
0.259
JON-UNI-bb9dc649-16
0.258
SIM-DEM-5935bd74-3
0.258
JAN-GHE-1d98ec1c-8
0.258
MAK-UNK-23561bf6-1
0.256
HEI-REL-0c990a45-3
0.255
MAT-POS-7dfc56d9-1
0.253
SIM-SYN-3099a863-2
0.252
MAK-UNK-bae89c02-3
0.252
MAK-UNK-902cc841-12
0.250
MAK-UNK-ec98eaf6-36
0.250
TRY-UNI-1fd04853-4
0.248
ASH-UNK-40b46b30-6
0.248
BEN-DND-6de5dfa0-27
0.247
WAR-XCH-b6889685-30
0.247
MAT-POS-b5746674-55
0.247
SAD-SAT-1f400d17-4
0.245
MAT-POS-590ac91e-66
0.243
JAN-GHE-1d98ec1c-6
0.242
KEI-UNI-85a52787-1
0.242
AAR-POS-d2a4d1df-27
0.242
MAR-LAB-efb042c5-5
0.242
MAR-TRE-6a44bbf2-68
0.242
TAM-UNI-c140e31a-4
0.241
MAT-POS-b5746674-56
0.239
NIR-THE-0d6461ce-5
0.238
KEI-UNI-85a52787-2
0.238
JAN-GHE-fd8d85a5-8
0.238
TAT-ENA-80bfd3e5-43
0.237
MAR-TRE-6a44bbf2-65
0.237
MAK-UNK-7c9d1431-11
0.237
KEN-MCD-6084b33e-1
0.237
MAK-UNK-7c9d1431-19
0.237
DAR-DIA-fb20be43-12
0.236
SAD-SAT-2fd372d1-10
0.235
SEL-UNI-cd366922-7
0.235
JAN-GHE-fd8d85a5-7
0.235
MAR-TRE-6a44bbf2-26
0.234
MAK-UNK-7c9d1431-17
0.234
MAK-UNK-7c9d1431-8
0.234
KEI-UNI-85a52787-3
0.234
SIM-SYN-3099a863-1
0.234
WIL-UNI-1faa9b10-49
0.234
ASH-UNK-40b46b30-18
0.233
MIH-UNI-e573136b-5
0.232
PEI-IMP-ca0b2813-3
0.232
MAK-UNK-902cc841-14
0.232
KIM-UNI-7d12df64-3
0.232
ABB-MCD-f8003a30-1
0.232
MAR-TRE-6a44bbf2-32
0.232
SAD-SAT-89668ff1-2
0.231
WAR-XCH-b72a1bbc-9
0.230
ASH-UNK-40b46b30-14
0.230
MAK-UNK-0b1cbb06-2
0.229
SIM-DEM-5935bd74-4
0.229
PET-SGC-ae7b447e-1
0.229
MAT-POS-b5746674-77
0.228
MAK-UNK-902cc841-7
0.227
NIM-UNI-bb610069-3
0.227
NIM-UNI-594fbbb6-3
0.227
TAM-UNI-c140e31a-17
0.227
WIL-UNI-1faa9b10-27
0.227
HEI-REL-0c990a45-5
0.226
MAK-UNK-7c9d1431-12
0.226
MAK-UNK-7c9d1431-13
0.226
MAR-TRE-6a44bbf2-78
0.226