Molecular Properties | |
SMILES: | c1ccc(OC2CCN(Cc3ccsc3)CC2)c(CNc2nc3ccccc3[nH]2)c1 |
MW: | 418.566 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 53.18 |
cLogP: | 5.2799 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-1bb0b7ee-12
0.584
MAK-UNK-1bb0b7ee-15
0.491
MAK-UNK-a7992eb3-19
0.464
MAK-UNK-1bb0b7ee-9
0.449
MAK-UNK-1ac43cfa-1
0.433
SWA-SYN-40d44a84-5
0.424
AAR-POS-0daf6b7e-25
0.420
MAK-UNK-a7992eb3-16
0.419
MAK-UNK-1bb0b7ee-5
0.417
MAK-UNK-a7992eb3-4
0.415
MAK-UNK-a7992eb3-1
0.411
SWA-SYN-40d44a84-4
0.375
MAK-UNK-1bb0b7ee-14
0.370
MAK-UNK-a7992eb3-25
0.365
MAK-UNK-a7992eb3-15
0.358
MAK-UNK-a7992eb3-17
0.343
MAK-UNK-212f693e-15
0.341
MAK-UNK-a7992eb3-10
0.333
AAR-POS-d2a4d1df-7
0.330
JAR-KUA-672ec752-12
0.324
MAK-UNK-009ebe36-10
0.321
MAK-UNK-3ae66343-2
0.319
ALP-POS-a30bcdb4-1
0.316
MAK-UNK-a7992eb3-13
0.312
MAK-UNK-a7992eb3-11
0.311
MAK-UNK-a7992eb3-14
0.308
JAR-KUA-8c13982c-7
0.296
MAK-UNK-10dfa458-20
0.295
MAK-UNK-acefcb18-31
0.292
SWA-SYN-40d44a84-1
0.288
MAK-UNK-b1d4dcd7-1
0.285
MAK-UNK-6435e6c2-3
0.283
MAK-UNK-e4a48a85-15
0.282
MED-COV-4280ac29-17
0.277
ALP-POS-a30bcdb4-2
0.273
AAR-POS-0daf6b7e-13
0.271
MAK-UNK-212f693e-8
0.271
MAK-UNK-10dfa458-1
0.271
LON-WEI-8f408cad-7
0.271
MAK-UNK-ec98eaf6-5
0.270
ALP-POS-3fc1724e-8
0.268
MAK-UNK-31051d4e-6
0.267
SAD-SAT-f0a2747f-6
0.267
MAK-UNK-212f693e-6
0.266
JAR-KUA-41bd5a3d-15
0.262
MAK-UNK-212f693e-7
0.260
WIL-UNI-d4749f31-37
0.259
MAK-UNK-31051d4e-5
0.256
MAR-TRE-143fb005-37
0.255
MAK-UNK-e4a48a85-16
0.248
ALP-UNI-ed5cdfd2-2
0.248
MAK-UNK-acefcb18-29
0.245
ALP-UNI-ed5cdfd2-1
0.242
MAK-UNK-acefcb18-30
0.242
ALP-POS-bad7201a-9
0.238
MAR-TRE-14ce9fd6-30
0.235
GIA-UNK-595fac82-5
0.235
MAK-UNK-902cc841-2
0.235
ALP-UNI-ed5cdfd2-3
0.233
MAR-TRE-423310b6-61
0.231
RED-RED-10c9212c-55
0.231
MAK-UNK-1ac43cfa-2
0.231
ALP-POS-c59291d4-3
0.229
MAR-TRE-14ce9fd6-40
0.229
MAR-TRE-ebcc4ad6-45
0.227
MAR-TRE-87acfbcc-73
0.226
MAR-TRE-143fb005-34
0.225
AAR-UNI-c25c2f1e-44
0.225
ALP-POS-6d04362c-3
0.225
MAK-UNK-212f693e-23
0.224
MAR-TRE-1c920f6f-61
0.224
MAK-UNK-212f693e-10
0.223
MAK-UNK-212f693e-22
0.223
RED-RED-10c9212c-19
0.223
SWA-SYN-40d44a84-3
0.222
ALP-POS-a3de0cb1-8
0.222
MAK-UNK-212f693e-2
0.222
MAK-UNK-0955449e-8
0.221
PET-UNK-b75fdf9f-2
0.220
MAK-UNK-e05327b2-2
0.219
ALP-POS-8ed8d9ec-10
0.219
RUT-UNI-630c5802-27
0.219
MAK-UNK-e4a48a85-22
0.218
MAR-TRE-fd17a9b8-3
0.218
MAK-UNK-e4a48a85-8
0.218
ALP-POS-a3de0cb1-3
0.218
MAR-TRE-1c920f6f-65
0.217
MAK-UNK-e05327b2-3
0.217
MAR-TRE-9d18ae8c-20
0.217
MAR-TRE-143fb005-24
0.217
ALP-POS-bad7201a-5
0.216
MAK-UNK-212f693e-18
0.216
MAK-UNK-3ae66343-1
0.216
LON-WEI-120e5cf5-14
0.216
MAR-TRE-36bf7dba-66
0.216
ALP-POS-6d04362c-4
0.215
RAL-THA-4a5dabff-6
0.215
MAT-POS-ea426761-50
0.215
PET-UNK-b75fdf9f-1
0.215
GIA-UNK-5ec6c2b8-3
0.214