Molecular Properties | |
SMILES: | Nc1nc2c(s1)CN(C(=O)CCc1c[nH]c3ccccc13)CC2 |
MW: | 326.12 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 75.01 |
cLogP: | 2.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2936599672 |
MolPort: | MolPort-016-629-403 |
aniline
aminothiazole
MAR-TRE-f6f5f473-6
0.396
RED-RED-10c9212c-33
0.392
FEL-WAB-fb168420-2
0.359
SAN-PRS-3c4a6997-2
0.356
RED-RED-10c9212c-42
0.353
MAT-POS-ea426761-77
0.351
MAR-TRE-fd17a9b8-10
0.333
JOH-MSK-a63bdd1d-10
0.333
FEL-WAB-fb168420-3
0.333
MAR-TRE-b77b7921-67
0.330
MAT-POS-ea426761-38
0.324
MAR-UCB-195bc32d-9
0.319
AAR-UNI-c25c2f1e-72
0.318
MAR-TRE-fd17a9b8-18
0.315
MAR-TRE-fd17a9b8-35
0.311
MAR-UCB-195bc32d-22
0.308
CUN-WAB-25b584ee-2
0.304
AAR-UNI-c25c2f1e-73
0.302
AAR-UNI-c25c2f1e-26
0.298
MAR-TRE-85681e92-53
0.298
MAR-TRE-85681e92-33
0.297
MAR-UCB-195bc32d-18
0.295
MAR-TRE-fd17a9b8-25
0.295
MAR-TRE-f5c2d31c-47
0.293
MAR-TRE-85681e92-68
0.291
NIC-BIO-3276ca7f-7
0.291
MAR-TRE-4f39ef4a-5
0.288
BRU-UNI-248b30bc-12
0.288
MAT-POS-162a9720-8
0.287
MAR-TRE-85681e92-69
0.287
ALP-POS-a3de0cb1-15
0.287
LON-WEI-4d77710c-20
0.287
LON-WEI-5e7d1b3e-20
0.287
MAR-TRE-4f781e27-69
0.283
NIM-UNI-310206f0-49
0.281
ANT-OPE-ab37bd51-2
0.277
NIC-BIO-3276ca7f-2
0.276
ALP-POS-8ed8d9ec-6
0.276
CUN-WAB-25b584ee-1
0.274
YIA-UNI-71f25a82-1
0.274
RED-RED-10c9212c-19
0.270
MAR-UCB-195bc32d-12
0.270
MAR-TRE-36bf7dba-26
0.270
IAN-BAS-8ad3d156-1
0.269
MAR-TRE-4f39ef4a-9
0.269
MAR-TRE-4f781e27-6
0.269
MAR-TRE-74c6519b-79
0.264
ALP-POS-8ed8d9ec-2
0.263
MAR-TRE-36bf7dba-27
0.263
MAR-TRE-36bf7dba-21
0.261
NIM-UNI-310206f0-31
0.260
AAR-UNI-c25c2f1e-29
0.259
AAR-UNI-c25c2f1e-34
0.259
MAT-POS-b5746674-27
0.255
MAR-TRE-fd17a9b8-1
0.252
SAL-INS-68b48d12-6
0.250
SUN-WAB-e274cdaf-1
0.250
SAL-INS-68b48d12-10
0.246
MAR-TRE-9d18ae8c-91
0.245
YIA-UNI-71f25a82-2
0.244
WIL-UNI-1faa9b10-29
0.243
JIN-POS-6dc588a4-5
0.243
SAL-INS-68b48d12-9
0.242
MAR-TRE-c8530538-64
0.241
BRU-UNI-248b30bc-8
0.241
SAL-INS-68b48d12-5
0.240
GAB-REV-df64cf17-18
0.236
SAL-INS-68b48d12-7
0.236
SAL-INS-68b48d12-8
0.233
RED-RED-10c9212c-54
0.230
MAR-TRE-c8530538-100
0.230
GAB-REV-70cc3ca5-17
0.229
MAR-TRE-fd17a9b8-54
0.228
MAK-UNK-be5ffcbc-1
0.227
NIC-BIO-f814dd3d-1
0.227
TAM-UNI-c140e31a-5
0.227
NJA-MAN-b9fb953f-5
0.226
MAR-TRE-f5c2d31c-30
0.224
ANT-OPE-ab37bd51-1
0.223
TAM-UNI-c140e31a-8
0.221
SAN-PRS-3c4a6997-12
0.221
TAT-ENA-80bfd3e5-16
0.220
MAT-POS-b5746674-26
0.220
RED-RED-10c9212c-9
0.220
SAN-PRS-3c4a6997-4
0.220
MAK-UNK-10572812-8
0.220
NAU-LAT-81109c57-8
0.219
MAR-TRE-4f781e27-96
0.219
MAR-TRE-3159af1a-43
0.218
MAR-TRE-ebcc4ad6-45
0.217
MAK-UNK-10572812-9
0.217
MAR-TRE-8190bb11-25
0.217
ALP-POS-a3de0cb1-14
0.217
MAT-POS-ea426761-95
0.217
VLA-UCB-38f570bb-1
0.217
MAT-POS-ea426761-84
0.217
FAR-UNI-736b943a-8
0.216
AAR-POS-fca48359-10
0.216
WAL-WAB-c1441da0-2
0.216
MAR-TRE-66ac689e-52
0.216