Molecular Properties | |
SMILES: | CC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1 |
MW: | 432.11 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 4 |
Rotatable Bonds: | 7 |
TPSA: | 90.04 |
cLogP: | 4.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4935852054 |
MolPort: | MolPort-023-219-147 |
DAV-CRI-3edb475e-4
0.369
DAV-CRI-3edb475e-5
0.344
MAR-TRE-66ac689e-92
0.333
BAR-COM-0f94fc3d-55
0.306
EDG-MED-0da5ad92-5
0.300
WIL-LEE-1f71e281-7
0.298
DAV-CRI-25b90884-1
0.294
JOK-SYG-a0b0bf84-1
0.289
ADA-UNI-f8e79267-11
0.286
ADA-UNI-f8e79267-8
0.284
ADA-UNI-f8e79267-7
0.282
ADA-UNI-f8e79267-10
0.280
SAM-UNK-2684b532-7
0.280
MAT-POS-1e5f28a7-1
0.279
MAR-TRE-8190bb11-59
0.278
AAR-POS-0daf6b7e-10
0.278
JAN-GHE-f4ca5a00-18
0.277
JAN-GHE-83b26c96-3
0.275
JAN-GHE-83b26c96-8
0.274
MAK-UNK-f203cb68-19
0.273
JUL-TUD-06b2044f-43
0.273
JAN-GHE-83b26c96-6
0.272
RIT-UNK-fa3975ff-1
0.271
JAN-GHE-5a013bed-8
0.271
MIC-UNK-66895286-1
0.271
MIC-UNK-66895286-2
0.268
SAM-UNK-2684b532-6
0.267
SAM-UNK-2684b532-5
0.267
MAK-UNK-f203cb68-3
0.266
MAK-UNK-f203cb68-2
0.266
JAN-GHE-83b26c96-4
0.265
JAN-GHE-83b26c96-5
0.265
TRY-UNI-2eddb1ff-4
0.265
TRY-UNI-2eddb1ff-5
0.265
TRY-UNI-714a760b-18
0.265
WIL-LEE-1f71e281-3
0.263
JOH-IMS-1436231f-5
0.263
JAN-GHE-83b26c96-1
0.262
MAR-TRE-92684b97-16
0.262
MAK-UNK-f203cb68-21
0.261
JAN-GHE-83b26c96-7
0.260
TRY-UNI-714a760b-15
0.260
MAK-UNK-f203cb68-22
0.259
JAN-GHE-83b26c96-2
0.257
MAK-UNK-f203cb68-20
0.254
MAR-TRE-92684b97-85
0.252
TRY-UNI-1fd04853-5
0.252
MAK-UNK-f203cb68-10
0.252
ADA-UCB-6c2cb422-9
0.252
MAK-UNK-f203cb68-11
0.250
MAK-UNK-f203cb68-13
0.250
MAT-POS-bb423b95-5
0.250
MAK-UNK-f203cb68-4
0.250
NAU-LAT-a5c7d7cb-6
0.250
JAN-GHE-83b26c96-9
0.250
TRY-UNI-9f475305-8
0.248
MAR-TRE-66ac689e-97
0.248
EDJ-MED-b24713dc-2
0.248
MAK-UNK-f203cb68-12
0.246
BAR-COM-ebf5acce-10
0.246
JAN-GHE-f4ca5a00-20
0.246
WIL-UNI-1faa9b10-31
0.245
MAR-TRE-92684b97-32
0.245
MAR-TRE-8190bb11-6
0.245
MAR-TRE-9d18ae8c-59
0.245
MAK-UNK-ffc90da7-7
0.244
MAR-TRE-9d18ae8c-19
0.243
MAR-TRE-9d18ae8c-24
0.243
MAR-TRE-799db12b-87
0.243
MAR-TRE-4f781e27-71
0.243
MAR-TRE-92684b97-86
0.243
JAN-GHE-83b26c96-15
0.243
EDG-MED-0da5ad92-1
0.243
MIC-UNK-c66144cb-2
0.242
BAR-COM-0f94fc3d-56
0.241
MAK-UNK-f203cb68-1
0.241
DAR-DIA-5a24bef0-15
0.241
DAR-DIA-5a24bef0-14
0.241
DAR-DIA-5a24bef0-16
0.241
MAR-TRE-66ac689e-68
0.240
MAR-TRE-66ac689e-57
0.240
ALP-POS-ddb41b15-9
0.240
NIC-BIO-3276ca7f-6
0.239
BAR-COM-ebf5acce-8
0.239
BAR-COM-ebf5acce-5
0.239
KEI-TRE-d5e2018a-19
0.239
SAM-UNK-2684b532-1
0.239
MIC-UNK-5ce21166-2
0.237
MAR-TRE-2fd8122f-11
0.235
MAR-TRE-66ac689e-41
0.235
JAN-GHE-f4ca5a00-19
0.235
RYA-UNI-9b5114df-1
0.234
KEI-TRE-d5e2018a-47
0.234
JAN-GHE-83b26c96-10
0.234
MAR-TRE-4f781e27-35
0.234
MAR-TRE-9d18ae8c-80
0.234
MAR-TRE-799db12b-16
0.234
DAR-DIA-076fb6ea-4
0.233
KEI-TRE-d5e2018a-16
0.232
JAN-GHE-d851b096-1
0.232