Molecular Properties | |
SMILES: | COc1ccc([C@@H](CNS(C)(=O)=O)C(=O)N2CCc3ccncc32)cc1 |
MW: | 375.45 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 88.6 |
cLogP: | 1.3123 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Long aliphatic chain
Hetero_hetero
DAN-RED-da448e80-15
0.810
DAN-RED-da448e80-6
0.769
DAN-RED-da448e80-10
0.769
DAN-RED-da448e80-2
0.744
DAN-RED-da448e80-16
0.644
DAN-RED-da448e80-18
0.639
DAN-RED-da448e80-7
0.621
DAN-RED-da448e80-11
0.621
DAN-RED-da448e80-3
0.598
DAN-RED-da448e80-19
0.511
DAN-RED-da448e80-8
0.495
DAN-RED-da448e80-12
0.495
DAN-RED-da448e80-4
0.474
DAN-RED-da448e80-13
0.435
DAN-RED-da448e80-20
0.404
SAM-UNK-2684b532-14
0.333
DAN-RED-da448e80-5
0.300
DAN-RED-da448e80-9
0.300
MAR-TRE-66ac689e-57
0.293
PED-UNI-8d53fd73-1
0.293
DAN-RED-da448e80-1
0.293
PED-UNI-5b7f1100-1
0.293
DRE-WAB-eb790b7a-1
0.293
BEN-DND-362d364a-12
0.289
DRE-WAB-ae4a693c-1
0.289
PET-SGC-b0f8bd49-1
0.289
PET-SGC-d0156db4-1
0.289
MAR-TRE-a9136c7b-69
0.287
DAN-RED-da448e80-17
0.277
MAR-TRE-66ac689e-18
0.274
MAR-TRE-799db12b-80
0.273
MAR-TRE-799db12b-47
0.271
MAR-TRE-92684b97-1
0.269
MAR-TRE-799db12b-94
0.268
MAR-TRE-799db12b-46
0.268
MAR-TRE-799db12b-28
0.265
MAR-TRE-799db12b-50
0.263
MAR-TRE-92684b97-4
0.257
MAK-UNK-27459e11-13
0.256
MAR-TRE-a9136c7b-59
0.255
ALP-POS-a3de0cb1-14
0.254
MAR-TRE-8190bb11-67
0.252
MAR-TRE-a9136c7b-5
0.252
SAD-SAT-24589cd1-7
0.250
PET-SGC-d5b502b1-1
0.248
WIL-WAB-6ef46ddb-1
0.248
KEI-TRE-d5e2018a-27
0.245
MAR-TRE-7f7bb9f0-16
0.245
MAR-TRE-799db12b-31
0.245
MAR-TRE-6a44bbf2-77
0.245
MAR-TRE-4b834d9a-73
0.243
ASH-UNK-40b46b30-13
0.243
TAM-UNI-c140e31a-10
0.243
JON-UNI-bb9dc649-11
0.242
ALP-POS-a3de0cb1-3
0.237
MAT-POS-b5746674-56
0.237
UNK-UNK-2ede4078-22
0.236
KEI-TRE-d5e2018a-92
0.236
MAR-TRE-4f781e27-37
0.235
MAR-TRE-85681e92-91
0.234
MAR-TRE-2fd8122f-50
0.234
MAR-TRE-9d18ae8c-86
0.234
MAR-TRE-92684b97-29
0.233
SIM-DEM-163f01e0-1
0.233
MAR-TRE-799db12b-84
0.232
MAK-UNK-f0bfc2e0-3
0.232
MAK-UNK-7c9d1431-17
0.232
MAR-TRE-9d18ae8c-19
0.231
ADA-UNI-f8e79267-2
0.231
MAR-TRE-92684b97-73
0.231
MAR-TRE-7f7bb9f0-90
0.230
NAU-LAT-3f5f3993-5
0.230
BEN-DND-09b88bf4-3
0.230
BEN-DND-6de5dfa0-3
0.230
RAL-MED-9a5eb9cb-8
0.228
MAR-TRE-66ac689e-98
0.228
KEI-TRE-d5e2018a-67
0.227
NAU-LAT-3f5f3993-10
0.227
PET-SGC-a9e9d4f4-1
0.227
WAR-XCH-bdd24732-3
0.226
MAR-TRE-4f781e27-20
0.226
KEI-TRE-d5e2018a-84
0.225
JOH-MEM-5e386bbd-4
0.224
GAB-REV-70cc3ca5-15
0.224
RAL-MED-9a5eb9cb-7
0.223
MAR-TRE-66ac689e-97
0.223
GIA-UNK-4de5abb1-5
0.223
MAR-TRE-a3327163-71
0.223
MAK-UNK-0955449e-1
0.223
KIM-UNI-60f168f5-4
0.222
ZAC-WAB-3baddbb3-1
0.222
ZAC-WAB-d55a3c2e-2
0.222
MAR-TRE-92684b97-77
0.222
MAR-TRE-d0525fbf-92
0.221
KEI-TRE-d5e2018a-95
0.221
MAR-TRE-4f781e27-35
0.221
MAR-TRE-4f781e27-56
0.221
MAR-TRE-0fda4e82-41
0.221
MAR-TRE-9d18ae8c-24
0.220
SEL-UNI-cd366922-2
0.220