Molecular Properties | |
SMILES: | CC(C)(CNC(=O)NCc1ccccc1-n1cccn1)c1cccc(F)c1 |
MW: | 366.19 |
Fraction sp3: | 0.24 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 58.95 |
cLogP: | 3.79 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-UNI-c25c2f1e-80
0.718
AAR-UNI-c25c2f1e-43
0.467
AAR-UNI-c25c2f1e-72
0.459
AAR-UNI-c25c2f1e-36
0.456
AAR-UNI-c25c2f1e-84
0.356
BRU-THA-92256091-87
0.355
AAR-UNI-c25c2f1e-53
0.337
AAR-UNI-c25c2f1e-5
0.290
AAR-UNI-c25c2f1e-7
0.290
AAR-UNI-c25c2f1e-10
0.269
SAD-SAT-29425be4-20
0.265
ALP-POS-02c6a514-34
0.264
AAR-UNI-c25c2f1e-104
0.262
AAR-UNI-c25c2f1e-12
0.259
MAT-POS-02ae579f-1
0.259
AAR-UNI-c25c2f1e-59
0.257
MAR-TRE-8190bb11-36
0.255
LON-WEI-2e27a2e5-2
0.254
ALP-POS-02c6a514-11
0.252
ALP-POS-305f6ec3-46
0.252
ALP-POS-305f6ec3-31
0.252
ALP-POS-d0876c20-15
0.250
MIC-UNK-8849923c-2
0.250
ALP-POS-305f6ec3-35
0.250
ALP-POS-d0876c20-21
0.250
MAR-TRE-799db12b-75
0.250
JAN-GHE-83b26c96-3
0.250
ALP-POS-95f71980-22
0.250
LON-WEI-babf2c61-4
0.250
MIC-UNK-7c90192e-1
0.248
BRU-THA-92256091-85
0.248
ALP-POS-02c6a514-31
0.248
ALP-POS-305f6ec3-56
0.248
LON-WEI-2e27a2e5-1
0.248
MAT-POS-f2460aef-2
0.248
ALF-EVA-46063d6e-2
0.248
MAT-POS-f2460aef-1
0.248
MAR-TRE-c8530538-8
0.248
MIC-UNK-96659df2-8
0.246
ALP-POS-305f6ec3-42
0.246
ALP-POS-d0876c20-17
0.246
WIL-UNI-1faa9b10-12
0.245
BAR-COM-0f94fc3d-13
0.245
ALP-POS-ced8ea4d-41
0.244
ALP-POS-305f6ec3-57
0.244
ALP-POS-d0876c20-16
0.244
ALP-POS-305f6ec3-59
0.244
ALP-POS-d0876c20-5
0.244
AAR-UNI-c25c2f1e-17
0.243
MAR-TRE-92684b97-91
0.243
AAR-UNI-c25c2f1e-13
0.243
MIC-UNK-96659df2-4
0.243
BRU-THA-92256091-74
0.242
BRU-THA-92256091-72
0.242
ALP-POS-02c6a514-48
0.242
ALP-POS-305f6ec3-54
0.242
ALP-POS-95f71980-18
0.242
ALP-POS-d0876c20-14
0.242
PAU-WEI-5b8d5051-1
0.242
PAU-WEI-5b8d5051-2
0.242
LON-POS-586a7c45-1
0.242
LON-WEI-adc59df6-47
0.242
LON-WEI-babf2c61-2
0.242
SAD-SAT-f25ee457-1
0.241
MIC-UNK-8849923c-3
0.241
AAR-UNI-c25c2f1e-15
0.241
MIC-UNK-8849923c-4
0.241
IND-SYN-6c8299e8-7
0.240
ALF-EVA-719172df-1
0.240
PAU-WEI-df8f33bc-2
0.240
ALP-POS-02c6a514-44
0.240
ALP-POS-02c6a514-46
0.240
ALP-POS-02c6a514-50
0.240
PET-UNK-48ab5cd7-1
0.240
ALP-UNI-c3ef0aba-3
0.240
MAR-TRE-9c797165-39
0.240
MAT-POS-f2460aef-5
0.240
MIC-UNK-8849923c-1
0.238
ALP-POS-305f6ec3-2
0.238
ALP-POS-d0876c20-10
0.238
DAR-DIA-48c639f7-15
0.238
ALP-POS-95f71980-21
0.238
ALP-POS-02c6a514-26
0.238
DAR-DIA-48c639f7-9
0.238
MAR-TRE-8190bb11-81
0.238
BRU-THA-92256091-90
0.237
MIC-UNK-8849923c-5
0.237
PAU-WEI-df8f33bc-1
0.237
ALP-POS-02c6a514-32
0.237
AAR-UNI-c25c2f1e-37
0.236
ALP-POS-305f6ec3-39
0.236
ALF-EVA-46063d6e-1
0.236
BRU-THA-92256091-27
0.236
JUL-TUD-06b2044f-120
0.236
MAR-TRE-799db12b-81
0.236
LON-WEI-babf2c61-1
0.236
ALP-POS-305f6ec3-29
0.236
ALP-POS-02c6a514-45
0.235
ALP-POS-305f6ec3-33
0.234
ALP-POS-305f6ec3-22
0.234