Molecular Properties | |
SMILES: | O=C(Cc1csc(-c2ccccc2F)n1)NCCc1c[nH]c2ccccc12 |
MW: | 379.12 |
Fraction sp3: | 0.14 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 57.78 |
cLogP: | 4.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7817696298 |
MolPort: | MolPort-006-317-693 |
SAN-PRS-3c4a6997-2
0.475
MAR-TRE-fd17a9b8-10
0.414
MAR-TRE-fd17a9b8-25
0.411
AAR-UNI-c25c2f1e-73
0.394
MAR-TRE-fd17a9b8-35
0.392
MAR-UCB-195bc32d-22
0.384
AAR-UNI-c25c2f1e-26
0.370
AAR-UNI-c25c2f1e-72
0.368
CUN-WAB-25b584ee-2
0.348
MAR-UCB-195bc32d-9
0.348
NAU-LAT-81109c57-8
0.347
AAR-UNI-c25c2f1e-29
0.347
LON-WEI-5e7d1b3e-20
0.345
LON-WEI-4d77710c-20
0.345
MAK-UNK-be5ffcbc-8
0.344
JOH-MSK-a63bdd1d-10
0.333
MAR-TRE-fd17a9b8-41
0.333
FEL-WAB-fb168420-2
0.333
MAR-TRE-b77b7921-67
0.330
MAR-TRE-fd17a9b8-1
0.330
AAR-UNI-c25c2f1e-34
0.327
FEL-WAB-fb168420-3
0.321
MAR-TRE-f5c2d31c-47
0.320
MAR-TRE-36bf7dba-27
0.319
MAT-POS-ea426761-94
0.315
MAR-TRE-36bf7dba-26
0.315
MAK-UNK-be5ffcbc-1
0.311
MAR-UCB-195bc32d-18
0.310
MAK-UNK-37f1d6fa-3
0.304
MAR-TRE-36bf7dba-21
0.304
MAK-UNK-37f1d6fa-2
0.304
RED-RED-10c9212c-42
0.302
MAK-UNK-be5ffcbc-7
0.302
MAR-TRE-85681e92-53
0.298
MAR-TRE-4f781e27-82
0.298
SAN-PRS-3c4a6997-1
0.298
AAR-POS-d2a4d1df-2
0.298
MAR-TRE-85681e92-33
0.297
MAR-TRE-4f781e27-6
0.292
NIM-UNI-310206f0-49
0.292
MAR-TRE-85681e92-68
0.291
NIC-BIO-3276ca7f-7
0.291
RED-RED-10c9212c-33
0.291
ANT-OPE-ab37bd51-2
0.290
MAT-GIT-deadff56-1
0.289
DUN-NEW-f8ce3686-12
0.289
JOH-MEM-4bb7e4cc-1
0.289
NIC-BIO-3276ca7f-2
0.288
BRU-UNI-248b30bc-12
0.288
MAK-UNK-10572812-8
0.288
MAR-TRE-85681e92-69
0.287
ALP-POS-a3de0cb1-15
0.287
MAK-UNK-10572812-9
0.287
MAK-UNK-10572812-14
0.286
CUN-WAB-25b584ee-1
0.286
MAK-UNK-37f1d6fa-4
0.283
GAB-REV-4a4e2ff3-3
0.283
GAB-REV-4a4e2ff3-15
0.283
MAR-TRE-be9ff7d2-73
0.283
MAR-TRE-4f781e27-69
0.283
MAR-TRE-92684b97-67
0.282
MAR-TRE-f6f5f473-6
0.281
NIM-UNI-310206f0-31
0.281
MAK-UNK-10572812-15
0.280
JOH-MSK-35a8745a-1
0.278
MAR-UCB-195bc32d-21
0.278
ALE-ACE-2610ee4d-1
0.278
WIL-UNI-1faa9b10-29
0.278
NAU-LAT-81109c57-1
0.277
SAL-INS-68b48d12-7
0.276
MAR-TRE-4f39ef4a-5
0.276
NAU-LAT-81109c57-4
0.275
MAR-TRE-74c6519b-79
0.275
MAR-UCB-195bc32d-16
0.274
JOH-MSK-a63bdd1d-4
0.274
ROM-UNK-ef52a3c9-4
0.274
MAR-TRE-e82e6c98-51
0.274
NAU-LAT-81109c57-7
0.274
SAL-INS-68b48d12-9
0.273
MAK-UNK-37f1d6fa-6
0.273
MAK-UNK-be5ffcbc-3
0.273
MAK-UNK-10572812-17
0.272
SUN-WAB-e274cdaf-1
0.272
NAU-LAT-81109c57-2
0.271
MAR-TRE-c8530538-11
0.270
MAR-TRE-4f39ef4a-9
0.269
MAK-UNK-37f1d6fa-1
0.268
MAK-UNK-10572812-13
0.268
MAK-UNK-10572812-16
0.268
MAR-TRE-4f781e27-96
0.267
MAK-UNK-37f1d6fa-7
0.267
ALP-POS-8ed8d9ec-6
0.265
YIA-UNI-71f25a82-2
0.264
GAB-REV-70cc3ca5-17
0.264
FRA-LAB-04e32718-1
0.264
RED-RED-10c9212c-54
0.264
ALP-POS-8ed8d9ec-2
0.263
LON-WEI-5e7d1b3e-24
0.263
LON-WEI-4d77710c-24
0.263
MAR-TRE-fd17a9b8-29
0.262