Molecular Properties | |
SMILES: | C[C@@H](CNC(=O)NCc1ccccc1NC(=O)NC1CC1)c1ccccc1 |
MW: | 366.21 |
Fraction sp3: | 0.33 |
HBA: | 2 |
HBD: | 4 |
Rotatable Bonds: | 7 |
TPSA: | 82.26 |
cLogP: | 3.57 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-UNI-c25c2f1e-84
0.372
SIM-DEM-1d7050d3-1
0.344
TAT-ENA-80bfd3e5-40
0.312
MAT-POS-b5746674-105
0.302
AAR-UNI-c25c2f1e-16
0.295
DAR-DIA-03336633-13
0.294
MAR-TRE-799db12b-74
0.292
LON-WEI-4d77710c-27
0.289
LON-WEI-5e7d1b3e-27
0.289
SIM-DEM-2843056b-4
0.287
AAR-UNI-c25c2f1e-71
0.283
AAR-UNI-c25c2f1e-13
0.277
MAR-TRE-66ac689e-30
0.275
BAR-COM-4e090d3a-4
0.275
SIM-DEM-2843056b-3
0.275
SAM-UNK-2684b532-8
0.273
AAR-UNI-c25c2f1e-15
0.273
SIM-DEM-2843056b-2
0.269
MAK-UNK-f2409524-33
0.267
BEN-DND-93268d01-14
0.267
LON-WEI-ff7b210a-4
0.265
TRY-UNI-714a760b-11
0.264
ALE-HEI-f28a35b5-7
0.264
MAR-TRE-799db12b-51
0.263
ABI-SAT-4d06482b-1
0.261
MAR-TRE-6a44bbf2-27
0.261
BEN-DND-93268d01-2
0.261
AAR-UNI-c25c2f1e-75
0.260
MIC-SGC-657978c3-7
0.258
AAR-UNI-c25c2f1e-45
0.258
AAR-UNI-c25c2f1e-14
0.258
AAR-UNI-c25c2f1e-36
0.255
SIM-DEM-2843056b-5
0.255
NAU-LAT-3f5f3993-2
0.253
MAR-TRE-6a44bbf2-57
0.253
AAR-UNI-c25c2f1e-10
0.253
PET-SGC-a9e9d4f4-1
0.252
FRA-FAC-9ed5a63a-3
0.250
AAR-UNI-c25c2f1e-100
0.250
AHN-SAT-202241f6-1
0.250
TRY-UNI-714a760b-17
0.250
WAR-XCH-bdd24732-1
0.250
SEL-UNI-cd366922-6
0.250
MAT-POS-b5746674-97
0.250
LON-WEI-5e7d1b3e-46
0.250
LON-WEI-4d77710c-46
0.250
JIA-UNI-9972d268-1
0.248
AAR-UNI-c25c2f1e-80
0.248
DRA-CSI-47e38074-15
0.247
AAR-UNI-c25c2f1e-78
0.247
MAR-TRE-6a44bbf2-97
0.247
MAK-UNK-f2409524-31
0.245
AAR-UNI-c25c2f1e-43
0.245
MAR-LAB-efb042c5-2
0.245
MAR-TRE-66ac689e-24
0.245
TRY-UNI-714a760b-7
0.244
BEN-DND-93268d01-3
0.244
DAR-DIA-03336633-1
0.243
HAN-NEW-5f56c3bc-3
0.243
SIM-DEM-2843056b-1
0.243
SIM-DEM-2843056b-6
0.243
SAM-UNK-2684b532-10
0.243
DAR-DIA-03336633-7
0.241
MAK-UNK-f983951f-19
0.240
MAR-TRE-6a44bbf2-9
0.239
FRA-BIO-8bf1eac9-8
0.239
CHA-KIN-6d173bb5-2
0.239
IFT-SAT-023cfffe-4
0.239
LEI-UNA-45e2e23e-1
0.237
MAK-UNK-30aad1f1-1
0.236
LON-WEI-b2874fec-22
0.235
MAR-TRE-66ac689e-40
0.235
PED-UNI-8d53fd73-1
0.235
PED-UNI-5b7f1100-1
0.235
SIM-DEM-f31d0e65-1
0.235
DAN-RED-da448e80-1
0.235
SIM-SYN-a98e6a07-2
0.235
DRE-WAB-eb790b7a-1
0.235
DRA-CSI-47e38074-7
0.235
MAK-UNK-f2409524-16
0.234
SIM-SYN-a98e6a07-4
0.234
MAX-MCD-16e3709a-1
0.234
DAR-DIA-03336633-2
0.234
WIL-UNI-354943b6-6
0.233
DRA-CSI-47e38074-3
0.233
MAK-UNK-6ca90168-11
0.233
BAR-COM-5694a99d-4
0.232
GIA-UNK-20b63697-5
0.232
AAR-UNI-c25c2f1e-51
0.231
TRY-UNI-714a760b-14
0.231
SIM-SYN-7db9eb24-2
0.231
ALP-UNI-fe744232-13
0.231
YUN-WES-58b0dbae-7
0.230
YUN-WES-64c64eb2-2
0.230
JOH-UNI-c7afdb96-12
0.230
MAR-TRE-f5c2d31c-66
0.229
TRY-UNI-9f475305-8
0.229
SAD-SAT-689b7d5a-9
0.228
MAR-TRE-3159af1a-24
0.228
HAN-NEW-5f56c3bc-1
0.227