Molecular Properties | |
SMILES: | CCC(=O)NCc1ccccc1S(=O)(=O)NC |
MW: | 256.327 |
Fraction sp3: | 0.36 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 75.27 |
cLogP: | 0.6209 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Hetero_hetero
AAR-POS-0daf6b7e-10
JUA-UNI-b93289a4-2
0.706
JUA-UNI-a9dfaed1-3
0.686
JUA-UNI-a9dfaed1-2
0.483
AHN-SAT-de2502ba-2
0.368
MAR-TRE-6a44bbf2-30
0.368
AHN-SAT-de2502ba-12
0.357
SAD-SAT-65574d3f-8
0.357
MAR-TRE-6a44bbf2-20
0.357
JON-UIO-066ce08b-15
0.310
ANT-OPE-6a16a9ad-1
0.292
MAR-TRE-66ac689e-47
0.291
ANT-DIA-b7f58f21-3
0.283
MAK-UNK-69bf97dd-8
0.280
SAD-SAT-135344c3-3
0.280
MAR-TRE-799db12b-64
0.280
MAK-UNK-69bf97dd-7
0.274
SAD-SAT-135344c3-1
0.271
MAR-TRE-6a44bbf2-93
0.269
MAK-UNK-69bf97dd-6
0.264
MAK-UNK-752736de-4
0.264
MAR-TRE-6a44bbf2-34
0.263
MAR-TRE-6a44bbf2-11
0.260
FRA-BIO-8bf1eac9-3
0.259
MAR-TRE-4b834d9a-85
0.258
WIL-NOV-649f4ed0-4
0.258
MAK-UNK-27459e11-8
0.258
MAK-UNK-942dcb71-8
0.257
MAK-UNK-942dcb71-7
0.253
ANT-OPE-6a16a9ad-2
0.253
MAR-TRE-6a44bbf2-97
0.250
NIR-THE-99f25457-3
0.247
ANT-OPE-7c194559-1
0.247
MAK-UNK-27459e11-7
0.246
MAR-TRE-74c6519b-78
0.244
ROD-UFR-d767f115-1
0.244
WIL-UNI-1faa9b10-27
0.243
SAN-PRS-3c4a6997-10
0.243
ALE-UNK-fca05062-6
0.242
VIJ-CYC-1a381570-11
0.242
MAR-TRE-4b834d9a-33
0.241
WIL-UNI-1faa9b10-19
0.241
DRE-WAB-9b73098a-1
0.239
SEL-UNI-cd366922-6
0.237
MAR-TRE-6a44bbf2-8
0.236
DRR-IMP-dff87f5e-5
0.236
JUA-UNI-b93289a4-6
0.236
AAR-POS-d2a4d1df-34
0.236
RAL-THA-1d44ff04-11
0.236
MAR-TRE-3159af1a-5
0.236
JUA-UNI-b93289a4-1
0.235
GIA-UNK-3f36037a-5
0.235
MAR-TRE-66ac689e-30
0.234
MAR-TRE-6a44bbf2-27
0.234
WAR-XCH-79d12f6e-2
0.234
JAR-KUA-41bd5a3d-12
0.233
NIC-BIO-3276ca7f-4
0.233
MAR-TRE-4b834d9a-95
0.233
WAR-XCH-79d12f6e-11
0.231
MAR-TRE-3159af1a-9
0.231
MAR-TRE-4b834d9a-99
0.230
ALP-POS-6479a3a9-3
0.228
ALP-POS-d7944b10-1
0.228
MAR-TRE-66ac689e-50
0.228
ALP-POS-df536be7-5
0.227
MAR-TRE-4b834d9a-9
0.227
TAM-UNI-d1c3dd9f-21
0.226
JOH-IMS-62aeb97d-5
0.226
ALP-POS-d7944b10-18
0.225
MAK-UNK-7c9d1431-20
0.225
MAK-UNK-7c9d1431-12
0.225
MAR-TRE-a78003aa-46
0.225
DUN-NEW-f8ce3686-21
0.225
WIL-UNI-1faa9b10-22
0.225
WIL-UNI-1faa9b10-28
0.225
MAT-POS-90fd5f68-17
0.225
MAR-TRE-d0525fbf-43
0.225
JAN-GHE-4287bd1a-2
0.224
AAR-UNI-c25c2f1e-16
0.224
AAR-UNI-c25c2f1e-17
0.224
SAD-SAT-65574d3f-3
0.222
MAR-UCB-195bc32d-22
0.222
MAR-TRE-fd17a9b8-82
0.222
IND-SYN-8bc6954a-2
0.222
VIJ-CYC-1a381570-5
0.222
ALP-POS-d7944b10-16
0.221
JUA-UNI-b93289a4-4
0.221
MAR-TRE-fd17a9b8-90
0.221
AAR-UNI-c25c2f1e-76
0.221
ALE-UNK-fca05062-8
0.221
ALP-POS-6479a3a9-2
0.220
ALP-POS-d7944b10-7
0.219
MAR-TRE-74c6519b-9
0.219
MAR-TRE-4b834d9a-55
0.218
BEN-DND-03406596-9
0.218
MAR-TRE-9d18ae8c-25
0.218
RAL-THA-2d450e86-37
0.218
RAL-THA-2d450e86-38
0.218
BEN-DND-76ad4ac9-11
0.218
MAK-UNK-6ca90168-10
0.217
NAU-LAT-64f4b287-9
0.217