Molecular Properties | |
SMILES: | CS(=O)(=O)NC[C@@H](C(=O)N1CCc2ccncc21)c1ccc(Cl)cc1 |
MW: | 379.869 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 79.37 |
cLogP: | 1.9571 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Long aliphatic chain
Hetero_hetero
DAN-RED-da448e80-6
0.813
DAN-RED-da448e80-11
0.805
DAN-RED-da448e80-14
0.769
DAN-RED-da448e80-2
0.763
DAN-RED-da448e80-7
0.655
DAN-RED-da448e80-18
0.634
DAN-RED-da448e80-12
0.628
DAN-RED-da448e80-15
0.621
DAN-RED-da448e80-3
0.612
DAN-RED-da448e80-19
0.505
DAN-RED-da448e80-8
0.505
DAN-RED-da448e80-16
0.484
DAN-RED-da448e80-4
0.468
DAN-RED-da448e80-9
0.422
SAM-UNK-2684b532-14
0.385
DAN-RED-da448e80-20
0.384
DAN-RED-da448e80-5
0.320
PET-SGC-d0156db4-1
0.309
PET-SGC-b0f8bd49-1
0.309
BEN-DND-362d364a-12
0.309
DRE-WAB-ae4a693c-1
0.309
DAN-RED-da448e80-13
0.300
DAN-RED-da448e80-1
0.299
DRE-WAB-eb790b7a-1
0.299
PED-UNI-5b7f1100-1
0.299
PED-UNI-8d53fd73-1
0.299
DAN-RED-da448e80-17
0.270
MAK-UNK-27459e11-13
0.262
TAM-UNI-c140e31a-10
0.260
ASH-UNK-40b46b30-13
0.260
MAR-TRE-66ac689e-49
0.258
SAD-SAT-24589cd1-7
0.255
ADA-UNI-f8e79267-8
0.255
PET-SGC-d5b502b1-1
0.252
WIL-WAB-6ef46ddb-1
0.252
MAR-TRE-799db12b-8
0.250
MAR-TRE-66ac689e-56
0.250
WIL-LEE-1f71e281-7
0.250
ADA-UNI-f8e79267-2
0.248
MAR-TRE-66ac689e-79
0.247
MAR-TRE-66ac689e-80
0.247
JOK-SYG-a0b0bf84-1
0.242
ADA-UNI-f8e79267-7
0.241
BAR-COM-655b106d-4
0.241
MAR-TRE-66ac689e-82
0.240
MAK-UNK-f481d203-1
0.239
MAK-UNK-919546f0-1
0.239
MAK-UNK-f481d203-2
0.239
MAR-TRE-66ac689e-64
0.238
SEL-UNI-cd366922-2
0.237
SIM-DEM-163f01e0-1
0.237
MAR-TRE-4f781e27-70
0.237
WAR-XCH-6eb0722e-2
0.236
BEN-DND-6de5dfa0-3
0.235
NAU-LAT-3f5f3993-5
0.235
BEN-DND-09b88bf4-3
0.235
ALP-POS-df536be7-3
0.234
DAR-DIA-5a24bef0-15
0.234
DAR-DIA-5a24bef0-14
0.234
DAR-DIA-5a24bef0-16
0.234
NAU-LAT-3f5f3993-10
0.231
WAR-XCH-6eb0722e-4
0.231
KEI-TRE-d5e2018a-99
0.230
MAR-TRE-67513f76-32
0.230
ADA-UNI-f8e79267-9
0.229
PET-UNK-f4e47ebd-9
0.229
RAL-THA-6b94ceba-12
0.229
MAD-FNM-74857450-1
0.227
ZAC-WAB-d55a3c2e-2
0.226
ZAC-WAB-3baddbb3-1
0.226
JOE-SYG-2c9a1216-2
0.226
WIL-UNI-1faa9b10-24
0.225
BEN-DND-362d364a-10
0.225
MAK-UNK-27459e11-6
0.225
KIM-UNI-60f168f5-6
0.224
SEL-UNI-cd366922-9
0.223
BAR-COM-4e090d3a-66
0.223
PET-UNK-f4e47ebd-24
0.223
PET-UNK-f4e47ebd-25
0.223
PET-UNK-f4e47ebd-10
0.222
EDJ-MED-2791eece-6
0.222
EDJ-MED-b774e9fe-2
0.222
BEN-DND-6de5dfa0-13
0.222
BEN-DND-93268d01-12
0.222
PET-UNK-f4e47ebd-13
0.221
AGN-NEW-63f62ae9-1
0.221
ADA-UNI-f8e79267-1
0.221
MAR-TRE-7f7bb9f0-33
0.221
MAK-UNK-f0bfc2e0-2
0.221
SER-UNI-985a0e14-1
0.220
FAR-UNI-736b943a-4
0.219
AAR-POS-fca48359-7
0.219
ALP-POS-df536be7-2
0.219
JAN-GHE-d851b096-2
0.219
BEN-DND-93268d01-10
0.219
ASH-UNK-40b46b30-3
0.218
IVS-FNM-4c9eb54d-1
0.217
GER-FIO-88d97d8c-1
0.217
WIL-MOD-03b86a88-5
0.217
MAK-MCD-5988fef6-1
0.217