Molecular Properties | |
SMILES: | c1ccc(CCNCc2ccsc2)cc1 |
MW: | 217.337 |
Fraction sp3: | 0.23 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 12.03 |
cLogP: | 3.0804 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7030198487 |
MolPort: | MolPort-000-942-510 |
Aliphatic long chain
ALE-HEI-f28a35b5-9
MAK-UNK-194150d3-6
0.382
MAK-UNK-31051d4e-6
0.359
MAK-UNK-31051d4e-5
0.359
MAK-UNK-194150d3-13
0.355
AAR-POS-d2a4d1df-1
0.346
ANT-DIA-b7f58f21-4
0.346
MAK-UNK-31051d4e-4
0.342
MAK-UNK-194150d3-12
0.338
ALE-UNK-fca05062-4
0.333
MAK-UNK-194150d3-17
0.333
MAK-UNK-194150d3-2
0.333
MAT-POS-b5746674-8
0.329
MAK-UNK-194150d3-8
0.328
MAK-UNK-194150d3-16
0.328
MAK-UNK-27459e11-4
0.316
MAK-UNK-194150d3-4
0.307
MAK-UNK-194150d3-15
0.301
MAK-UNK-27459e11-3
0.300
MAK-UNK-27459e11-1
0.295
DAN-MCD-9950a804-1
0.291
DAN-MCD-1a622181-1
0.291
MAK-UNK-27459e11-2
0.290
AAR-POS-0daf6b7e-13
0.286
LON-WEI-8f408cad-7
0.286
MAK-UNK-212f693e-8
0.286
LAU-FAC-e2c8b4ad-1
0.284
MIH-UNI-6b9ca91a-6
0.281
ALE-UNK-fca05062-3
0.279
JAR-KUA-672ec752-7
0.278
NEL-UNI-1464a899-4
0.274
JAY-JBL-db550ec5-1
0.273
SUG-SAT-4be79373-5
0.272
MAK-UNK-194150d3-3
0.271
MAK-UNK-194150d3-7
0.270
SUG-SAT-4be79373-2
0.266
SUG-SAT-4be79373-1
0.265
MAK-UNK-6435e6c2-3
0.262
MAK-UNK-a7992eb3-13
0.262
MAK-UNK-a7992eb3-10
0.259
MAK-UNK-212f693e-6
0.258
MAK-UNK-acefcb18-8
0.257
MAK-UNK-f983951f-13
0.254
MAK-UNK-212f693e-32
0.254
MAK-UNK-194150d3-5
0.253
MAK-UNK-31051d4e-3
0.253
SUG-SAT-4be79373-3
0.253
MAK-UNK-07311286-1
0.250
MAR-TRE-6a44bbf2-9
0.250
MAK-UNK-212f693e-7
0.250
MAK-UNK-07311286-2
0.250
MAK-UNK-15efde89-1
0.250
MAK-UNK-c44f4be0-2
0.247
MAK-UNK-a7992eb3-16
0.247
MAK-UNK-10dfa458-1
0.246
AAR-POS-d2a4d1df-7
0.246
LON-WEI-4d77710c-31
0.244
LON-WEI-5e7d1b3e-31
0.244
MAT-POS-2492181e-5
0.244
MAK-UNK-0955449e-8
0.244
MAK-UNK-af83ef51-2
0.243
MAK-UNK-acefcb18-3
0.242
MAK-UNK-10dfa458-20
0.242
MAK-UNK-f983951f-5
0.242
MAK-UNK-8145c7a0-3
0.241
MAK-UNK-31051d4e-1
0.241
DUN-NEW-f8ce3686-23
0.241
DAN-MCD-9b81d1fa-1
0.239
DAN-MCD-b3a5626f-1
0.239
MAK-UNK-c44f4be0-7
0.239
MAK-UNK-31051d4e-2
0.238
JAY-JBL-db550ec5-2
0.238
MAK-UNK-212f693e-16
0.238
SUG-SAT-4be79373-4
0.238
MAK-UNK-f983951f-22
0.238
MAK-UNK-10dfa458-39
0.236
DAR-DIA-842b4336-10
0.235
MAR-TRE-0fda4e82-1
0.235
MAK-UNK-a7992eb3-1
0.232
MAK-UNK-194150d3-1
0.231
AAR-UNI-c25c2f1e-62
0.230
BEN-DND-362d364a-1
0.230
MAK-UNK-b2c98f02-3
0.230
MAK-UNK-8145c7a0-5
0.230
AAR-UNI-c25c2f1e-100
0.230
MAR-TRE-0fda4e82-52
0.229
RUT-UNI-630c5802-2
0.228
MAK-UNK-acefcb18-13
0.228
MAK-UNK-b2c98f02-9
0.227
UNK-UNK-2ede4078-44
0.227
MAK-UNK-212f693e-15
0.227
MAK-UNK-c44f4be0-9
0.227
AHN-SAT-de2502ba-1
0.227
RAL-THA-4a5dabff-1
0.226
MAK-UNK-009ebe36-10
0.226
MAK-UNK-ed378e62-29
0.226
MAK-UNK-be3f299e-2
0.224
MAR-TRE-d3c2bf0e-11
0.224
AHN-SAT-02ef6d10-9
0.224
ANT-DIA-b7f58f21-2
0.222
MAK-UNK-b2c98f02-7
0.222