Molecular Properties | |
SMILES: | CS(=O)(=O)NC[C@@H](C(=O)N1CCCc2ccncc21)c1ccc(Cl)cc1 |
MW: | 393.896 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 79.37 |
cLogP: | 2.3472 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Long aliphatic chain
Hetero_hetero
DAN-RED-da448e80-7
0.821
DAN-RED-da448e80-10
0.805
DAN-RED-da448e80-15
0.778
DAN-RED-da448e80-3
0.772
DAN-RED-da448e80-6
0.655
DAN-RED-da448e80-19
0.647
DAN-RED-da448e80-14
0.621
DAN-RED-da448e80-2
0.612
DAN-RED-da448e80-12
0.607
DAN-RED-da448e80-18
0.505
DAN-RED-da448e80-8
0.490
DAN-RED-da448e80-16
0.469
DAN-RED-da448e80-4
0.454
DAN-RED-da448e80-9
0.424
DAN-RED-da448e80-20
0.373
DRE-WAB-ae4a693c-1
0.326
BEN-DND-362d364a-12
0.326
PET-SGC-b0f8bd49-1
0.326
PET-SGC-d0156db4-1
0.326
DAN-RED-da448e80-5
0.323
SAM-UNK-2684b532-14
0.316
DAN-RED-da448e80-13
0.304
PED-UNI-8d53fd73-1
0.303
PED-UNI-5b7f1100-1
0.303
DRE-WAB-eb790b7a-1
0.303
DAN-RED-da448e80-1
0.303
ADA-UNI-f8e79267-8
0.283
ASH-UNK-40b46b30-13
0.277
DAN-RED-da448e80-17
0.275
BEN-DND-6de5dfa0-13
0.274
DAR-DIA-5a24bef0-15
0.274
BEN-DND-93268d01-12
0.274
DAR-DIA-5a24bef0-16
0.274
DAR-DIA-5a24bef0-14
0.274
ADA-UNI-f8e79267-2
0.265
TAM-UNI-c140e31a-10
0.265
PET-SGC-d5b502b1-1
0.257
WIL-WAB-6ef46ddb-1
0.257
MAK-UNK-27459e11-13
0.253
TAM-UNI-c140e31a-6
0.252
PET-SGC-05cff2e1-1
0.248
DUN-NEW-f8ce3686-14
0.248
ADA-UNI-f8e79267-7
0.245
ADA-UNI-f8e79267-9
0.245
PET-SGC-abcbce68-1
0.245
ZAC-WAB-3baddbb3-1
0.243
ZAC-WAB-d55a3c2e-2
0.243
WIL-LEE-1f71e281-7
0.242
SIM-DEM-163f01e0-1
0.241
WAR-XCH-6eb0722e-2
0.241
BEN-DND-362d364a-10
0.241
MAR-TRE-6a44bbf2-46
0.240
PET-SGC-59809fea-1
0.237
MAR-TRE-66ac689e-49
0.237
WAR-XCH-6eb0722e-4
0.236
NAU-LAT-3f5f3993-10
0.236
MAR-TRE-67513f76-32
0.235
KEI-TRE-d5e2018a-99
0.235
ALP-POS-df536be7-2
0.235
DAR-DIA-5a24bef0-5
0.235
JOK-SYG-a0b0bf84-1
0.235
BAR-COM-655b106d-4
0.234
RAL-THA-6b94ceba-12
0.234
WIL-MOD-03b86a88-5
0.234
MAK-UNK-f481d203-1
0.232
TAM-UNI-c140e31a-12
0.232
MAK-UNK-f481d203-2
0.232
MAK-UNK-919546f0-1
0.232
JOE-SYG-2c9a1216-2
0.231
MAR-TRE-799db12b-8
0.231
WIL-UNI-1faa9b10-24
0.231
MAR-TRE-66ac689e-56
0.231
IVS-FNM-4c9eb54d-1
0.230
BEN-DND-22e6b372-4
0.230
SEL-UNI-cd366922-2
0.230
MAR-TRE-04c86cea-17
0.229
SEL-UNI-cd366922-9
0.229
WIL-UNI-5578df48-9
0.229
ALP-POS-df536be7-3
0.228
BEN-DND-09b88bf4-3
0.228
BEN-DND-6de5dfa0-3
0.228
NAU-LAT-3f5f3993-5
0.228
MAR-TRE-66ac689e-79
0.228
MAR-TRE-66ac689e-80
0.228
KEI-TRE-d5e2018a-91
0.227
DAR-DIA-5a24bef0-17
0.227
TAM-UNI-c140e31a-4
0.227
PET-SGC-f913cec9-1
0.227
PET-SGC-d0156db4-2
0.226
ADA-UNI-f8e79267-1
0.226
ASH-UNK-40b46b30-11
0.226
MAR-TRE-7f7bb9f0-33
0.226
DAR-DIA-5a24bef0-13
0.226
BEN-DND-22e6b372-3
0.225
MAK-UNK-53da93bf-3
0.225
MAK-UNK-0b1cbb06-2
0.225
PET-SGC-a9e9d4f4-1
0.225
ADA-UNI-f8e79267-3
0.224
ADA-UNI-f8e79267-11
0.224
FAR-UNI-736b943a-4
0.224