Molecular Properties | |
SMILES: | CS(=O)(=O)N(C[C@H]1CCN2c3cc(S(N)(=O)=O)ccc3CC[C@@H]2C1)C1=CCC([C@H](O)N2CCSCC2)=C1NC(=O)CCl |
MW: | 660.284 |
Fraction sp3: | 0.59 |
HBA: | 9 |
HBD: | 3 |
Rotatable Bonds: | 9 |
TPSA: | 153.35 |
cLogP: | 1.3907 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
non_ring_acetal
Enamines
Dye 22
Hetero_hetero
JOK-SYG-ac99ed27-1
0.333
HAR-NEW-e34cb1ae-5
0.276
DUN-NEW-f8ce3686-14
0.268
JOK-SYG-6ec557d2-1
0.267
DAR-DIA-37454fd7-2
0.266
HAR-NEW-e34cb1ae-6
0.260
PET-SGC-616b7348-1
0.259
PET-SGC-abcbce68-1
0.256
PET-SGC-481b48b7-1
0.254
STU-CHA-83dacf15-1
0.250
HEI-REL-0c990a45-1
0.250
PET-SGC-fc67af9f-1
0.248
PET-SGC-59809fea-1
0.248
MAK-UNK-0b1cbb06-2
0.248
PET-SGC-908c18f3-1
0.248
PAU-UNI-f4334617-1
0.245
STU-CHA-7e77017b-1
0.245
NAU-LAT-42d4957e-3
0.244
MAK-UNK-10799360-15
0.243
MAK-UNK-90d0606b-6
0.241
SAD-SAT-89668ff1-2
0.241
MAK-UNK-10799360-30
0.240
DAR-DIA-37454fd7-1
0.239
TAM-UNI-c140e31a-17
0.236
MAK-UNK-10799360-11
0.236
TAM-UNI-c140e31a-6
0.234
ASH-SAT-43770c7d-2
0.234
AAR-POS-d2a4d1df-4
0.233
WIL-WAB-1289c0dd-2
0.233
MAK-UNK-0b1cbb06-5
0.232
PED-UNI-d0b586b3-1
0.232
HEI-REL-0c990a45-3
0.231
TAM-UNI-c140e31a-4
0.231
IND-SYN-6c8299e8-9
0.231
TAM-UNI-c140e31a-13
0.230
NAU-LAT-42d4957e-2
0.229
PET-SGC-6a1b02a9-1
0.229
DAR-DIA-37454fd7-3
0.228
HEI-REL-0c990a45-6
0.228
MAK-UNK-9a6be56d-17
0.227
TAM-UNI-c140e31a-7
0.227
PET-SGC-f913cec9-2
0.226
STE-NAN-bafe64f0-1
0.226
PAU-UNI-2d648ace-1
0.225
MAK-UNK-0b1cbb06-3
0.224
HEI-REL-0c990a45-2
0.224
PET-SGC-05cff2e1-1
0.223
PET-SGC-210d4c30-1
0.223
PET-SGC-f913cec9-1
0.223
MAK-UNK-9a6be56d-21
0.223
MAK-UNK-9a6be56d-19
0.223
NAU-LAT-42d4957e-4
0.222
TAM-UNI-c140e31a-1
0.222
STU-CHA-83dacf15-2
0.221
MAK-UNK-0b1cbb06-4
0.221
MAK-UNK-9a6be56d-23
0.218
ASH-UNK-7e8c50a4-1
0.217
MAK-UNK-9a6be56d-15
0.217
STU-CHA-83dacf15-3
0.217
STU-CHA-814c6126-1
0.217
PET-SGC-c4a91520-1
0.216
MAK-UNK-10799360-9
0.215
MAK-UNK-9a6be56d-18
0.215
JAR-IMP-ed466bb3-6
0.214
SAD-SAT-9a6c5cf3-2
0.214
AHN-SAT-de2502ba-9
0.214
IND-SYN-8f867502-2
0.213
SAD-SAT-cefd50cc-9
0.213
NAU-LAT-42d4957e-1
0.211
MAK-UNK-9a6be56d-22
0.211
TAM-UNI-c140e31a-12
0.210
MAK-UNK-9a6be56d-16
0.210
MAK-UNK-9a6be56d-31
0.210
TAM-UNI-c140e31a-14
0.208
RED-RED-10c9212c-51
0.208
DAV-AUT-fa25ac7f-4
0.207
WAR-XCH-b72a1bbc-12
0.206
MAR-TRE-6a44bbf2-33
0.206
SAD-SAT-5b1897b2-7
0.206
AHN-SAT-de2502ba-10
0.206
MAK-UNK-9a6be56d-10
0.206
MAK-UNK-9a6be56d-24
0.206
SAD-SAT-f2e2579e-5
0.206
TAM-UNI-c140e31a-8
0.205
MAK-UNK-ec98eaf6-27
0.205
YUE-FRA-7d798063-1
0.205
SAD-SAT-f2e2579e-7
0.204
TAM-UNI-c140e31a-9
0.204
MAT-POS-b5746674-55
0.203
MAK-UNK-9a6be56d-2
0.202
HAN-UNI-e165996f-1
0.201
NIR-THE-0d6461ce-4
0.201
DAV-CRI-de95a6f4-1
0.201
SAD-SAT-9a6c5cf3-6
0.201
MAR-TRE-6a44bbf2-89
0.200
NAU-LAT-42d4957e-5
0.200
SAD-SAT-f2e2579e-2
0.200
MAR-TRE-6a44bbf2-63
0.200
WAR-XCH-b72a1bbc-21
0.200
AAR-POS-d2a4d1df-27
0.200