Molecular Properties | |
SMILES: | CC(CNCCCO)CN1CCCc2ccc(S(N)(=O)=O)cc21 |
MW: | 341.18 |
Fraction sp3: | 0.62 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 8 |
TPSA: | 95.66 |
cLogP: | 0.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
Unbranched chain
Dye 22
AAR-POS-d2a4d1df-4
MAK-UNK-0b1cbb06-4
0.521
PET-SGC-abcbce68-1
0.512
PET-SGC-6a1b02a9-1
0.500
DUN-NEW-f8ce3686-14
0.500
MAK-UNK-0b1cbb06-3
0.493
PET-SGC-616b7348-1
0.466
NAU-LAT-42d4957e-4
0.459
PET-SGC-c4a91520-1
0.455
PAU-UNI-2d648ace-1
0.446
TAM-UNI-c140e31a-6
0.446
PET-SGC-908c18f3-1
0.437
PET-SGC-05cff2e1-1
0.429
PET-SGC-59809fea-1
0.429
AAR-POS-d2a4d1df-4
0.427
NAU-LAT-42d4957e-2
0.417
MAK-UNK-10799360-30
0.414
PAU-UNI-f4334617-1
0.406
MAK-UNK-10799360-15
0.402
WIL-WAB-1289c0dd-2
0.398
NAU-LAT-42d4957e-5
0.394
PET-SGC-f913cec9-1
0.385
DAR-DIA-37454fd7-1
0.385
PET-SGC-210d4c30-1
0.385
JAR-IMP-ed466bb3-6
0.377
PET-SGC-fc67af9f-1
0.376
PET-SGC-f913cec9-2
0.363
DAR-DIA-37454fd7-2
0.363
PET-SGC-481b48b7-1
0.356
NAU-LAT-42d4957e-3
0.356
JOK-SYG-ac99ed27-1
0.351
DAR-DIA-37454fd7-3
0.350
MAK-UNK-9a6be56d-1
0.345
MAK-UNK-b1917cc8-1
0.337
HEI-REL-0c990a45-1
0.333
MAK-UNK-9a6be56d-2
0.331
HAR-NEW-e34cb1ae-5
0.327
TAM-UNI-c140e31a-4
0.321
HAR-NEW-e34cb1ae-6
0.319
MAK-UNK-0b1cbb06-5
0.314
JOK-SYG-6ec557d2-1
0.313
TAM-UNI-c140e31a-12
0.307
JOH-IMS-54aa76a2-5
0.303
MAK-UNK-0b1cbb06-1
0.302
MAK-UNK-9a6be56d-24
0.295
TAM-UNI-c140e31a-17
0.291
MAK-UNK-9a6be56d-8
0.290
IND-SYN-8f867502-2
0.289
MAK-UNK-9a6be56d-14
0.288
MAK-UNK-9a6be56d-10
0.285
MAK-UNK-9a6be56d-12
0.285
MAK-UNK-9a6be56d-9
0.282
HEI-REL-0c990a45-2
0.281
HAR-NEW-e34cb1ae-4
0.281
HEI-REL-0c990a45-6
0.280
ASH-SAT-43770c7d-2
0.280
MAK-UNK-9a6be56d-11
0.280
MAK-UNK-9a6be56d-22
0.280
MAK-UNK-53da93bf-3
0.280
TAM-UNI-c140e31a-14
0.279
HEI-REL-0c990a45-3
0.278
MAK-UNK-9a6be56d-18
0.276
SAD-SAT-5b1897b2-7
0.276
MAR-TRE-6a44bbf2-33
0.276
TAM-UNI-c140e31a-1
0.274
MAK-UNK-9a6be56d-17
0.272
JAC-UNI-14c2e728-1
0.271
MAK-UNK-9a6be56d-23
0.270
MAK-UNK-9a6be56d-15
0.268
MAK-UNK-9a6be56d-16
0.268
MIH-UNI-6b9ca91a-3
0.267
STU-CHA-83dacf15-3
0.267
MAK-UNK-9a6be56d-19
0.266
MAK-UNK-9a6be56d-21
0.266
PET-SGC-ae7b447e-1
0.259
WIL-LEE-23e8b574-7
0.258
JOH-IMS-cc7b4c67-2
0.257
IND-SYN-058869ff-1
0.256
IND-SYN-8f867502-3
0.256
JOH-IMS-d6628593-4
0.255
STE-NAN-bafe64f0-1
0.255
JAR-IMP-ed466bb3-1
0.254
JAN-GHE-1d98ec1c-1
0.253
STU-CHA-83dacf15-1
0.252
HEI-REL-0c990a45-4
0.250
PED-UNI-d0b586b3-1
0.250
TAM-UNI-c140e31a-13
0.250
STE-NAN-bafe64f0-3
0.248
MAK-UNK-9a6be56d-31
0.248
TAM-UNI-c140e31a-8
0.248
NIR-THE-0d6461ce-5
0.248
TAM-UNI-c140e31a-7
0.245
STU-CHA-7e77017b-1
0.245
MIH-UNI-6b9ca91a-9
0.245
HAR-NEW-e34cb1ae-3
0.244
MAR-TRE-6a44bbf2-46
0.242
WAR-XCH-b6889685-23
0.241
JON-UIO-82a15e73-7
0.241
CHR-UNK-e061132b-1
0.240
CHR-UNK-b46452fc-1
0.240
AAR-UNI-c25c2f1e-93
0.240