Molecular Properties | |
SMILES: | COc1ccc([C@@H](CNS(C)(=O)=O)C(=O)N2CCOc3ccncc32)cc1 |
MW: | 391.449 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 97.83 |
cLogP: | 1.1486 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Long aliphatic chain
Hetero_hetero
DAN-RED-da448e80-8
0.790
DAN-RED-da448e80-12
0.790
DAN-RED-da448e80-4
0.765
DAN-RED-da448e80-20
0.671
DAN-RED-da448e80-14
0.644
DAN-RED-da448e80-15
0.622
DAN-RED-da448e80-6
0.484
DAN-RED-da448e80-10
0.484
DAN-RED-da448e80-7
0.469
DAN-RED-da448e80-11
0.469
DAN-RED-da448e80-2
0.463
DAN-RED-da448e80-3
0.449
DAN-RED-da448e80-13
0.421
DAN-RED-da448e80-18
0.404
DAN-RED-da448e80-19
0.392
MAR-TRE-a9136c7b-69
0.291
DAN-RED-da448e80-5
0.291
DAN-RED-da448e80-9
0.291
PED-UNI-8d53fd73-1
0.284
DAN-RED-da448e80-1
0.284
DRE-WAB-eb790b7a-1
0.284
PED-UNI-5b7f1100-1
0.284
MAR-TRE-66ac689e-57
0.284
DAN-RED-da448e80-17
0.282
PET-SGC-d0156db4-1
0.280
BEN-DND-362d364a-12
0.280
PET-SGC-b0f8bd49-1
0.280
DRE-WAB-ae4a693c-1
0.280
MAR-TRE-799db12b-94
0.273
MAR-TRE-66ac689e-18
0.265
MAR-TRE-799db12b-80
0.265
MAR-TRE-799db12b-47
0.263
MAR-TRE-799db12b-46
0.260
MAR-TRE-799db12b-50
0.255
KEI-TRE-d5e2018a-27
0.250
MAR-TRE-7f7bb9f0-16
0.250
MAR-TRE-92684b97-1
0.250
MAK-UNK-f0bfc2e0-3
0.248
MAR-TRE-a9136c7b-59
0.248
MAK-UNK-27459e11-13
0.247
MAR-TRE-799db12b-28
0.245
ALP-POS-a3de0cb1-3
0.241
KEI-TRE-d5e2018a-92
0.241
PET-SGC-d5b502b1-1
0.241
WIL-WAB-6ef46ddb-1
0.241
MAR-TRE-799db12b-31
0.238
JOH-UNI-3fc3434e-12
0.237
ALP-POS-a3de0cb1-14
0.237
JOH-UNI-ee5ed7c8-12
0.237
MAR-TRE-6a44bbf2-77
0.237
ASH-UNK-40b46b30-13
0.236
TAM-UNI-c140e31a-10
0.236
BEN-DND-f2e727cd-1
0.235
MAR-TRE-a9136c7b-5
0.234
MAR-TRE-8190bb11-67
0.234
JOH-UNI-ea1df7a8-1
0.233
MAR-TRE-3e4e6814-56
0.233
RAL-MED-9a5eb9cb-8
0.233
ALP-POS-ced8ea4d-19
0.233
KEI-TRE-d5e2018a-84
0.230
MAR-TRE-2fd8122f-64
0.230
MAT-POS-b5746674-56
0.229
GIA-UNK-4de5abb1-5
0.229
MAK-UNK-f481d203-1
0.228
MAK-UNK-f481d203-2
0.228
MAK-UNK-919546f0-1
0.228
MAR-TRE-2fd8122f-50
0.227
DRA-CSI-7ec17797-5
0.227
KEI-TRE-d5e2018a-95
0.226
MAR-TRE-d0525fbf-92
0.226
MAR-TRE-4b834d9a-73
0.225
MAR-TRE-3159af1a-82
0.225
MAK-UNK-7c9d1431-17
0.224
ADA-UNI-f8e79267-2
0.224
BEN-DND-6de5dfa0-3
0.223
NAU-LAT-3f5f3993-5
0.223
MAR-TRE-7f7bb9f0-90
0.223
BEN-DND-09b88bf4-3
0.223
JON-UNI-bb9dc649-11
0.222
ADA-UNI-f8e79267-1
0.222
MAR-TRE-b77b7921-85
0.222
MAR-TRE-7f7bb9f0-33
0.222
TIM-UNK-6bd61028-2
0.222
RAL-MED-9a5eb9cb-6
0.222
PET-SGC-a9e9d4f4-1
0.221
KEI-TRE-d5e2018a-67
0.221
NAU-LAT-3f5f3993-10
0.221
MAR-TRE-fd17a9b8-31
0.221
WIL-UNI-5578df48-5
0.221
MAR-TRE-3e4e6814-9
0.220
WAR-XCH-bdd24732-3
0.220
MAR-TRE-3159af1a-95
0.220
UNK-UNK-2ede4078-22
0.219
ADA-UNI-f8e79267-7
0.219
ASH-UNK-40b46b30-3
0.219
GAB-REV-70cc3ca5-15
0.218
MAT-POS-b5746674-62
0.218
MAT-POS-96f51285-3
0.218
EDJ-MED-611d11e7-9
0.218
MAR-TRE-04c86cea-11
0.218