Molecular Properties | |
SMILES: | O=C(NCCSc1ccccc1)NCc1nc2ccccc2[nH]1 |
MW: | 326.12 |
Fraction sp3: | 0.18 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 69.81 |
cLogP: | 3.15 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
AAR-UNI-c25c2f1e-41
0.470
ALP-UNI-ed5cdfd2-7
0.447
AAR-UNI-c25c2f1e-57
0.429
MAK-UNK-3ae66343-1
0.419
AAR-UNI-c25c2f1e-83
0.398
AAR-UNI-c25c2f1e-52
0.393
MAR-TRE-ebcc4ad6-45
0.389
MAR-TRE-87acfbcc-73
0.354
AAR-UNI-c25c2f1e-44
0.347
AAR-POS-0daf6b7e-39
0.342
SAD-SAT-f0a2747f-6
0.341
MAR-TRE-423310b6-61
0.341
GAB-REV-70cc3ca5-9
0.333
MAR-TRE-14ce9fd6-30
0.321
MAR-TRE-36bf7dba-66
0.312
MAR-TRE-aca67d11-41
0.308
MAR-TRE-d3c2bf0e-16
0.305
RED-RED-10c9212c-19
0.303
MAR-TRE-8a25d817-28
0.302
MAR-TRE-1c920f6f-65
0.301
GAB-REV-4a4e2ff3-3
0.291
AAR-POS-0daf6b7e-25
0.277
MAR-TRE-14ce9fd6-40
0.273
MAR-TRE-1c920f6f-61
0.268
AAR-UNI-c25c2f1e-20
0.268
AAR-UNI-c25c2f1e-72
0.267
COM-UCB-8c7d23dc-2
0.265
MAR-TRE-c8530538-71
0.264
AAR-UNI-c25c2f1e-28
0.263
SWA-SYN-40d44a84-4
0.256
MAK-UNK-3ae66343-2
0.250
RED-RED-10c9212c-55
0.250
SWA-SYN-40d44a84-1
0.250
MAR-TRE-9d18ae8c-12
0.250
ALP-POS-ddb41b15-9
0.248
AAR-UNI-c25c2f1e-37
0.248
JAR-KUA-672ec752-12
0.247
ALP-UNI-ed5cdfd2-2
0.245
WIL-UNI-d4749f31-37
0.245
MAK-UNK-1bb0b7ee-12
0.245
SWA-SYN-40d44a84-5
0.244
SEB-HKI-06b43755-1
0.242
MAK-UNK-1bb0b7ee-9
0.242
MAK-UNK-1bb0b7ee-14
0.241
ALP-UNI-ed5cdfd2-3
0.240
COM-UCB-1ef4e90e-3
0.240
KUS-THE-322b9b63-23
0.240
BEN-DND-7e92b6ca-5
0.240
ALP-POS-a30bcdb4-1
0.239
ALP-UNI-ed5cdfd2-1
0.238
MAK-UNK-1ac43cfa-1
0.238
MAR-TRE-c8530538-97
0.236
AAR-UNI-c25c2f1e-73
0.235
ALP-POS-3fc1724e-8
0.234
AAR-UNI-c25c2f1e-71
0.234
MAK-UNK-a7992eb3-25
0.234
MAK-UNK-a7992eb3-4
0.233
MAR-TRE-c8530538-26
0.233
MAR-TRE-9d18ae8c-20
0.233
MAR-TRE-c8530538-10
0.232
ALP-POS-a30bcdb4-2
0.231
MAR-TRE-c8530538-92
0.231
CAS-DEP-751a2458-2
0.230
MAK-UNK-1bb0b7ee-5
0.229
BEN-DND-7e92b6ca-4
0.229
MAR-LAB-ca4662a6-8
0.229
BAR-COM-4e090d3a-22
0.228
NIM-UNI-bb9030bf-7
0.226
JUA-UNI-a9dfaed1-5
0.226
AAR-UNI-c25c2f1e-78
0.226
MAR-TRE-143fb005-37
0.226
AAR-UNI-c25c2f1e-43
0.225
BAR-COM-4e090d3a-29
0.224
MAR-TRE-143fb005-30
0.223
MAT-POS-916a2c5a-2
0.223
UNK-UNK-2ede4078-81
0.223
AAR-UNI-c25c2f1e-69
0.223
MAR-TRE-c8530538-4
0.223
AAR-UNI-c25c2f1e-51
0.222
UNK-UNK-2ede4078-18
0.222
MAT-POS-3b92565d-13
0.222
MAK-UNK-c749d764-30
0.221
ALP-UNI-ed5cdfd2-5
0.221
AAR-UNI-c25c2f1e-84
0.221
MAR-TRE-143fb005-16
0.220
AAR-POS-0daf6b7e-28
0.220
MAR-TRE-14ce9fd6-17
0.220
MAR-TRE-0fda4e82-24
0.219
AAR-UNI-c25c2f1e-5
0.219
JUA-UNI-b93289a4-5
0.219
MAK-UNK-1bb0b7ee-15
0.218
BEN-DND-7e92b6ca-3
0.218
AAR-UNI-c25c2f1e-16
0.217
MAR-TRE-c8530538-50
0.217
MAR-UCB-195bc32d-22
0.216
AAR-UNI-c25c2f1e-80
0.216
AAR-UNI-c25c2f1e-76
0.216
BEN-BAS-eabb9599-1
0.215
MAR-TRE-c8530538-16
0.215
EDJ-MED-6af13d92-1
0.215