Molecular Properties | |
SMILES: | Cc1nc(NCC2CCCO2)sc1C(=O)NCCc1c[nH]c2ccccc12 |
MW: | 384.16 |
Fraction sp3: | 0.4 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 79.04 |
cLogP: | 3.5 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4838614838 |
MolPort: | MolPort-008-338-007 |
aminothiazole
SAN-PRS-3c4a6997-2
0.429
MAR-TRE-fd17a9b8-18
0.411
AAR-UNI-c25c2f1e-73
0.389
MAR-TRE-fd17a9b8-35
0.387
MAR-TRE-fd17a9b8-10
0.345
AAR-UNI-c25c2f1e-72
0.342
AAR-UNI-c25c2f1e-26
0.333
MAR-TRE-fd17a9b8-29
0.324
MAR-UCB-195bc32d-22
0.323
LON-WEI-4d77710c-20
0.322
LON-WEI-5e7d1b3e-20
0.322
FEL-WAB-fb168420-3
0.322
FEL-WAB-fb168420-2
0.322
AAR-UNI-c25c2f1e-29
0.321
ANT-OPE-ab37bd51-2
0.306
JOH-MSK-a63bdd1d-10
0.305
RED-RED-10c9212c-33
0.305
AAR-UNI-c25c2f1e-34
0.295
MAT-POS-ea426761-94
0.295
RED-RED-10c9212c-42
0.293
PAU-UNI-6d15a9f5-1
0.288
MAR-TRE-be9ff7d2-73
0.287
MAR-TRE-f6f5f473-6
0.285
MAR-TRE-4f781e27-6
0.284
MAR-TRE-f5c2d31c-47
0.284
WIL-NOV-066c4001-1
0.283
CUN-WAB-25b584ee-2
0.282
NAU-LAT-81109c57-4
0.280
CUN-WAB-25b584ee-1
0.278
MAR-TRE-4f781e27-82
0.278
MAR-TRE-b77b7921-67
0.278
MAR-TRE-85681e92-33
0.277
AAR-POS-0daf6b7e-23
0.276
MAR-TRE-4f781e27-69
0.276
LON-WEI-4d77710c-13
0.275
LON-WEI-5e7d1b3e-13
0.275
MAR-TRE-92684b97-67
0.274
MAR-TRE-36bf7dba-26
0.274
NIC-BIO-3276ca7f-7
0.272
BRU-UNI-248b30bc-12
0.271
MAR-TRE-fd17a9b8-81
0.271
MAR-UCB-195bc32d-9
0.271
MAR-TRE-fd17a9b8-41
0.270
NIC-BIO-3276ca7f-2
0.270
ALP-POS-a3de0cb1-15
0.269
FRA-LAB-04e32718-1
0.269
MAR-TRE-fd17a9b8-1
0.268
MAR-TRE-85681e92-53
0.267
ROM-UNK-ef52a3c9-4
0.267
MAT-POS-162a9720-8
0.267
SUN-WAB-e274cdaf-1
0.266
RED-RED-10c9212c-27
0.266
MAK-UNK-37f1d6fa-3
0.266
NAU-LAT-81109c57-2
0.265
SAN-PRS-3c4a6997-1
0.264
MAK-UNK-37f1d6fa-2
0.264
MAR-TRE-4f39ef4a-9
0.263
MAR-TRE-85681e92-68
0.261
ALE-ACE-2610ee4d-1
0.259
MAR-UCB-195bc32d-21
0.259
JOH-MSK-35a8745a-1
0.259
MAR-TRE-4f781e27-23
0.259
MAR-TRE-4f39ef4a-5
0.259
MAR-TRE-85681e92-69
0.258
ALP-POS-8ed8d9ec-2
0.258
MAR-TRE-36bf7dba-27
0.258
YIA-UNI-71f25a82-1
0.258
DUN-NEW-f8ce3686-12
0.257
MAT-GIT-deadff56-1
0.257
JOH-MEM-4bb7e4cc-1
0.257
MAR-TRE-e82e6c98-51
0.256
MAK-UNK-be5ffcbc-3
0.256
MAR-TRE-36bf7dba-21
0.256
JOH-MSK-a63bdd1d-4
0.255
MAR-UCB-195bc32d-16
0.255
AAR-POS-d2a4d1df-2
0.252
MAR-TRE-c317dd82-56
0.252
ASH-UNK-40b46b30-5
0.252
ALP-POS-8ed8d9ec-6
0.250
MAK-UNK-ffc90da7-4
0.248
MAK-UNK-c749d764-22
0.248
MAK-UNK-37f1d6fa-4
0.248
DAR-DIA-8e329c92-12
0.248
ROM-UNK-ef52a3c9-3
0.248
MAR-TRE-799db12b-18
0.248
TAM-UNI-c140e31a-16
0.248
MAR-TRE-74c6519b-79
0.248
JOH-MSK-a63bdd1d-5
0.248
MAR-TRE-a78003aa-100
0.248
MAR-UCB-195bc32d-18
0.248
BRU-UNI-248b30bc-8
0.247
MAK-UNK-10572812-15
0.246
GAB-REV-4a4e2ff3-3
0.246
MAK-UNK-be5ffcbc-8
0.245
MAR-TRE-9c797165-90
0.244
MAR-TRE-67513f76-29
0.244
GAB-REV-df64cf17-18
0.244
MAR-TRE-4f781e27-81
0.243
MAK-UNK-10572812-14
0.243
SAL-INS-68b48d12-7
0.243