Molecular Properties | |
SMILES: | CC1CC=NCC1NC(=O)COCN1CCCc2ccc(S(N)(=O)=O)cc21 |
MW: | 394.497 |
Fraction sp3: | 0.56 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 114.09 |
cLogP: | 0.656100000000002 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_CH2O_acetal
Long aliphatic chain
Dye 22
PET-SGC-6a1b02a9-1
0.441
MAK-UNK-0b1cbb06-4
0.435
MAK-UNK-0b1cbb06-3
0.416
DUN-NEW-f8ce3686-14
0.411
NAU-LAT-42d4957e-4
0.408
PET-SGC-abcbce68-1
0.406
PET-SGC-c4a91520-1
0.406
PET-SGC-908c18f3-1
0.404
NAU-LAT-42d4957e-2
0.402
TAM-UNI-c140e31a-6
0.400
MAK-UNK-0b1cbb06-2
0.398
PET-SGC-616b7348-1
0.388
PET-SGC-05cff2e1-1
0.387
DAR-DIA-37454fd7-2
0.377
PAU-UNI-2d648ace-1
0.374
DAR-DIA-37454fd7-1
0.364
PET-SGC-210d4c30-1
0.364
PET-SGC-f913cec9-1
0.364
PET-SGC-59809fea-1
0.363
AAR-POS-d2a4d1df-4
0.360
PET-SGC-f913cec9-2
0.355
MAK-UNK-10799360-15
0.353
MAK-UNK-10799360-30
0.351
NAU-LAT-42d4957e-5
0.347
PAU-UNI-f4334617-1
0.345
PET-SGC-fc67af9f-1
0.344
DAR-DIA-37454fd7-3
0.344
PET-SGC-481b48b7-1
0.333
JAR-IMP-ed466bb3-6
0.333
NAU-LAT-42d4957e-3
0.320
HAR-NEW-e34cb1ae-5
0.309
MAK-UNK-9a6be56d-2
0.306
JOK-SYG-ac99ed27-1
0.306
TAM-UNI-c140e31a-4
0.305
HEI-REL-0c990a45-1
0.302
HAR-NEW-e34cb1ae-6
0.302
JOK-SYG-6ec557d2-1
0.297
HEI-REL-0c990a45-2
0.292
TAM-UNI-c140e31a-12
0.292
MAK-UNK-9a6be56d-1
0.289
MAK-UNK-0b1cbb06-5
0.283
HAR-NEW-e34cb1ae-4
0.280
TAM-UNI-c140e31a-17
0.279
MAK-UNK-9a6be56d-11
0.270
MAK-UNK-9a6be56d-23
0.270
TAM-UNI-c140e31a-14
0.267
MAK-UNK-9a6be56d-18
0.267
MAK-UNK-9a6be56d-21
0.266
HAR-NEW-e34cb1ae-3
0.265
MAK-UNK-9a6be56d-12
0.265
MAK-UNK-0b1cbb06-1
0.264
TAM-UNI-c140e31a-1
0.263
MAK-UNK-9a6be56d-22
0.261
MAK-UNK-9a6be56d-8
0.261
MAK-UNK-9a6be56d-14
0.259
MAK-UNK-9a6be56d-16
0.259
ASH-SAT-43770c7d-2
0.257
MIH-UNI-6b9ca91a-3
0.256
STE-NAN-bafe64f0-1
0.256
MAK-UNK-9a6be56d-24
0.255
MAK-UNK-9a6be56d-10
0.255
HEI-REL-0c990a45-3
0.255
ASH-UNK-40b46b30-18
0.254
MAK-UNK-9a6be56d-17
0.254
MAK-UNK-9a6be56d-9
0.254
FRA-DIA-3f9ae552-1
0.250
MAK-UNK-9a6be56d-15
0.250
MAK-UNK-9a6be56d-19
0.248
STU-CHA-83dacf15-3
0.246
SAD-SAT-89668ff1-2
0.243
WAR-XCH-b6889685-20
0.240
TAM-UNI-c140e31a-8
0.240
PET-SGC-ae7b447e-1
0.240
PET-SGC-481b48b7-2
0.239
TAM-UNI-c140e31a-18
0.238
HEI-REL-0c990a45-6
0.238
NAU-LAT-42d4957e-1
0.238
SAD-SAT-5b1897b2-7
0.238
MAR-TRE-6a44bbf2-33
0.238
ASH-UNK-40b46b30-10
0.237
TAM-UNI-c140e31a-7
0.237
NEA-WAB-7f018ee1-1
0.237
TAM-UNI-c140e31a-9
0.237
IND-SYN-8f867502-2
0.235
STE-NAN-bafe64f0-3
0.233
MAR-TRE-14ce9fd6-7
0.233
STU-CHA-83dacf15-1
0.233
PED-UNI-d0b586b3-1
0.233
WAR-XCH-b72a1bbc-23
0.232
WAR-XCH-b72a1bbc-9
0.232
WAR-XCH-b72a1bbc-14
0.232
MAK-UNK-53da93bf-3
0.231
STU-CHA-83dacf15-2
0.231
TAM-UNI-c140e31a-13
0.231
WAR-XCH-b6889685-22
0.229
SAD-SAT-cefd50cc-8
0.229
NIR-THE-0d6461ce-5
0.228
JAR-IMP-ed466bb3-1
0.227
WAR-XCH-b6889685-43
0.224
WAR-XCH-b6889685-16
0.223