Molecular Properties | |
SMILES: | CN1CC(O)C(CSCCOCNCCc2ccccc2)C1 |
MW: | 324.49 |
Fraction sp3: | 0.65 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 10 |
TPSA: | 44.73 |
cLogP: | 1.4485 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_CH2O_acetal
Aliphatic long chain
het-C-het not in ring
Long aliphatic chain
Unbranched chain
ALE-HEI-f28a35b5-9
MAK-UNK-194150d3-12
0.354
MAK-UNK-194150d3-6
0.352
ANT-DIA-b7f58f21-4
0.324
MAK-UNK-194150d3-10
0.307
MAK-UNK-194150d3-13
0.300
MAK-UNK-194150d3-8
0.298
MAK-UNK-194150d3-5
0.295
MAK-UNK-10dfa458-9
0.289
AAR-POS-d2a4d1df-1
0.286
BEN-DND-362d364a-1
0.283
MAK-UNK-194150d3-3
0.282
VAL-ASS-c8151e3f-1
0.282
MAK-UNK-af83ef51-2
0.274
MAK-UNK-194150d3-17
0.273
MAK-UNK-31051d4e-6
0.273
MAK-UNK-194150d3-2
0.268
MAK-UNK-27459e11-4
0.267
ALE-UNK-fca05062-4
0.266
MAK-UNK-27459e11-2
0.266
DAV-UNI-bdcebb58-1
0.265
AAR-POS-fca48359-3
0.265
MAK-UNK-31051d4e-3
0.265
MAK-UNK-194150d3-16
0.265
MAK-UNK-8145c7a0-6
0.265
MAK-UNK-194150d3-15
0.264
MAK-UNK-b2c98f02-7
0.262
DAV-UNI-bdcebb58-4
0.260
MAK-UNK-31051d4e-5
0.260
LAU-FAC-8471e121-1
0.259
ALE-UNK-fca05062-3
0.259
MAK-UNK-31051d4e-4
0.258
AAR-UNI-c25c2f1e-68
0.258
MAK-UNK-27459e11-3
0.256
MAK-UNK-31051d4e-1
0.255
MAK-UNK-c44f4be0-9
0.255
MAK-UNK-27459e11-1
0.253
MAK-UNK-df1a028e-4
0.253
MAK-UNK-31051d4e-2
0.253
VAL-UNK-82caa8e7-1
0.252
MAK-UNK-15efde89-1
0.250
MAK-UNK-07311286-2
0.250
MAR-TRE-6a44bbf2-9
0.250
MAK-UNK-194150d3-9
0.248
MAK-UNK-c44f4be0-1
0.248
MAT-POS-b5746674-112
0.248
DAN-MCD-34fd4f29-1
0.248
MAR-TRE-0fda4e82-24
0.248
MAK-UNK-c44f4be0-8
0.245
LON-WEI-b2874fec-22
0.245
MIH-UNI-6b9ca91a-6
0.244
VAL-ASS-db6a4353-1
0.241
JAY-JBL-db550ec5-2
0.241
PAU-WEI-b9b69149-1
0.240
MAK-UNK-10dfa458-39
0.239
MAK-UNK-b2c98f02-4
0.238
MAK-UNK-8145c7a0-7
0.238
MAT-POS-b5746674-8
0.238
NEL-UNI-1464a899-4
0.237
MAK-UNK-c44f4be0-2
0.236
DAN-MCD-1a622181-1
0.236
DAN-MCD-9950a804-1
0.236
GIA-UNK-595fac82-5
0.235
MAK-UNK-ec98eaf6-49
0.235
AAR-UNI-c25c2f1e-62
0.233
MAK-UNK-b2c98f02-3
0.233
BEN-DND-362d364a-5
0.231
MAK-UNK-b2c98f02-1
0.231
AHN-SAT-de2502ba-1
0.231
MAK-UNK-c44f4be0-5
0.231
MAK-UNK-b2c98f02-5
0.231
MAK-UNK-b2c98f02-9
0.231
MAK-UNK-8145c7a0-3
0.231
MAT-POS-b5746674-136
0.230
MAK-UNK-ec98eaf6-48
0.230
DRA-CSI-47e38074-3
0.229
DRA-CSI-47e38074-12
0.229
MAK-UNK-f983951f-5
0.228
MAR-TRE-74c6519b-100
0.228
MAK-UNK-c44f4be0-6
0.226
FAR-UNI-a04c1544-1
0.226
MAK-UNK-194150d3-7
0.226
SAD-SAT-29425be4-29
0.225
FRA-BIO-8bf1eac9-8
0.225
MAR-TRE-6a44bbf2-75
0.225
MAR-TRE-0fda4e82-1
0.224
LON-WEI-5e7d1b3e-14
0.223
MAT-POS-b5746674-78
0.223
PAU-UNI-6d15a9f5-1
0.223
LON-WEI-4d77710c-14
0.223
PAU-WEI-c6d65c11-1
0.222
MAK-UNK-07311286-1
0.222
MAK-UNK-8145c7a0-5
0.221
SAD-SAT-2fd372d1-2
0.221
MAK-UNK-a7992eb3-18
0.220
AAR-UNI-c25c2f1e-100
0.220
MAT-POS-b5746674-134
0.219
MAK-UNK-8145c7a0-1
0.219
MAK-UNK-acefcb18-14
0.219
DUN-NEW-f8ce3686-25
0.219
MAR-TRE-0fda4e82-52
0.218