Molecular Properties | |
SMILES: | Cc1cc(CN(CC(=O)N2CCN(C)c3ccc(S(N)(=O)=O)cc32)C(=O)NC2CC2)no1 |
MW: | 462.17 |
Fraction sp3: | 0.45 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 142.08 |
cLogP: | 0.79 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Dye 22
PET-SGC-210d4c30-1
0.518
DAR-DIA-37454fd7-1
0.505
DAR-DIA-37454fd7-3
0.462
FRA-DIA-3f9ae552-2
0.438
DAR-DIA-37454fd7-2
0.429
FRA-DIA-3f9ae552-3
0.426
ASH-UNK-40b46b30-18
0.409
AAR-POS-d2a4d1df-9
0.404
IFT-SAT-023cfffe-2
0.389
SIM-SYN-3099a863-1
0.385
IFT-SAT-023cfffe-5
0.350
SAD-SAT-cefd50cc-2
0.344
TRY-UNI-9f475305-7
0.327
TRY-UNI-9f475305-8
0.324
RAF-SAT-b3ff87a1-1
0.320
TRY-UNI-9f475305-6
0.316
ALI-DIA-59c2fdb0-1
0.308
SIM-SYN-7db9eb24-2
0.304
ALI-DIA-59c2fdb0-4
0.300
FRA-DIA-8640f307-3
0.297
MAK-UNK-987948f6-1
0.294
SIM-SYN-3099a863-2
0.294
FRA-DIA-8640f307-1
0.292
MAK-UNK-0b1cbb06-5
0.290
SCO-CSI-e30c12ee-1
0.286
ALI-DIA-59c2fdb0-3
0.286
FRA-DIA-8640f307-2
0.286
MAR-TRE-6a44bbf2-33
0.283
SAD-SAT-5b1897b2-7
0.283
HAR-NEW-e34cb1ae-5
0.281
ALI-DIA-59c2fdb0-2
0.279
ALI-DIA-59c2fdb0-5
0.276
IND-SYN-8f867502-1
0.276
RAF-SAT-b3ff87a1-2
0.270
PET-SGC-f913cec9-2
0.269
IND-SYN-8f867502-2
0.268
ALI-DIA-59c2fdb0-9
0.267
ALI-DIA-59c2fdb0-8
0.263
ALI-DIA-59c2fdb0-7
0.263
ALI-DIA-59c2fdb0-6
0.261
JOK-SYG-6ec557d2-1
0.259
TAM-UNI-c140e31a-4
0.258
ASH-UNK-40b46b30-14
0.256
PET-SGC-f913cec9-1
0.256
AAR-POS-d2a4d1df-4
0.255
IFT-SAT-023cfffe-4
0.254
IFT-SAT-023cfffe-1
0.252
WIL-WAB-1289c0dd-2
0.250
HAR-NEW-e34cb1ae-6
0.250
PET-SGC-2aaf6909-1
0.248
JOK-SYG-ac99ed27-1
0.243
NAU-LAT-42d4957e-3
0.243
TAM-UNI-c140e31a-6
0.242
PET-SGC-c4a91520-1
0.241
IND-SYN-8f867502-3
0.240
IND-SYN-058869ff-1
0.240
JAC-UNI-14c2e728-1
0.240
DAR-DIA-6a508060-14
0.239
NAU-LAT-42d4957e-4
0.239
HEI-REL-0c990a45-1
0.239
PET-SGC-05cff2e1-1
0.238
YOI-UNK-15f562e8-3
0.238
BEN-DND-f2e727cd-3
0.238
JAC-SHE-cfe9e938-1
0.237
NIM-UNI-363644a0-2
0.235
NIR-THE-0d6461ce-5
0.235
TAM-UNI-c140e31a-17
0.234
TAM-UNI-c140e31a-18
0.234
PAU-UNI-f4334617-1
0.234
MAK-UNK-69bf97dd-4
0.233
MAK-UNK-10799360-15
0.233
PET-SGC-481b48b7-1
0.232
PAU-UNI-2d648ace-1
0.231
ASH-SAT-43770c7d-2
0.231
MIN-UNA-49990483-1
0.230
MAR-TRE-6a44bbf2-46
0.229
NAU-LAT-42d4957e-5
0.229
MAK-UNK-10799360-30
0.228
HAR-NEW-e34cb1ae-4
0.227
WAR-XCH-79d12f6e-4
0.226
PET-SGC-908c18f3-1
0.226
NAU-LAT-42d4957e-2
0.226
PET-SGC-6a1b02a9-1
0.225
DUN-NEW-f8ce3686-14
0.225
MAK-UNK-ec98eaf6-36
0.225
LIZ-THE-d3ff4653-2
0.224
NIR-THE-0d6461ce-4
0.224
PET-SGC-abcbce68-1
0.223
TAM-UNI-c140e31a-12
0.223
STE-NAN-bafe64f0-1
0.222
TAM-UNI-c140e31a-14
0.221
DAN-MCD-881986d8-1
0.221
SEL-UNI-cd366922-7
0.221
JAN-GHE-1d98ec1c-5
0.221
MAK-MCD-2210d2de-1
0.221
MAK-UNK-9a6be56d-29
0.221
MAK-UNK-10799360-29
0.220
CHR-SOS-e960e883-5
0.220
MAK-UNK-0b1cbb06-3
0.219
PET-SGC-59809fea-1
0.219