Molecular Properties | |
SMILES: | CC(C)(CNC(=O)NCc1ccccc1-n1cccn1)c1ccccc1 |
MW: | 348.2 |
Fraction sp3: | 0.24 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 58.95 |
cLogP: | 3.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-UNI-c25c2f1e-19
0.718
AAR-UNI-c25c2f1e-43
0.649
AAR-UNI-c25c2f1e-72
0.500
AAR-UNI-c25c2f1e-36
0.500
AAR-UNI-c25c2f1e-84
0.344
AAR-UNI-c25c2f1e-53
0.323
AAR-UNI-c25c2f1e-59
0.303
AAR-UNI-c25c2f1e-10
0.292
AAR-UNI-c25c2f1e-5
0.287
BRU-THA-92256091-87
0.280
AAR-UNI-c25c2f1e-7
0.275
MAR-TRE-8190bb11-81
0.272
AAR-UNI-c25c2f1e-104
0.270
BEN-DND-93268d01-13
0.267
AAR-UNI-c25c2f1e-12
0.267
AAR-UNI-c25c2f1e-13
0.263
AAR-UNI-c25c2f1e-15
0.260
MAR-TRE-8190bb11-82
0.258
AAR-UNI-c25c2f1e-71
0.255
MAR-TRE-4f781e27-48
0.255
MAR-TRE-c8530538-8
0.255
AAR-UNI-c25c2f1e-17
0.250
AAR-UNI-c25c2f1e-81
0.248
AAR-UNI-c25c2f1e-38
0.248
MAR-TRE-9c797165-39
0.247
MAR-TRE-67513f76-30
0.240
AAR-UNI-c25c2f1e-16
0.239
AAR-UNI-c25c2f1e-64
0.238
MAR-TRE-799db12b-89
0.237
ALP-POS-02c6a514-57
0.236
AAR-UNI-c25c2f1e-25
0.235
MAR-TRE-66ac689e-29
0.235
SAD-SAT-29425be4-20
0.235
ALP-POS-02c6a514-56
0.234
MAR-TRE-6a44bbf2-70
0.233
JAN-GHE-83b26c96-3
0.233
AAR-UNI-c25c2f1e-31
0.232
MAR-TRE-92684b97-54
0.232
MAR-TRE-4b834d9a-85
0.231
YOI-UNK-a533afbc-4
0.231
YOI-UNK-12211982-4
0.231
SAD-SAT-24589cd1-7
0.228
SAD-SAT-29425be4-23
0.228
LON-WEI-adc59df6-40
0.227
MAR-TRE-9c797165-17
0.227
AAR-UNI-c25c2f1e-44
0.226
MAR-TRE-67513f76-37
0.225
MAT-POS-ea426761-84
0.225
LON-WEI-1908424e-1
0.223
AAR-UNI-c25c2f1e-100
0.223
MAR-TRE-799db12b-64
0.223
AAR-UNI-c25c2f1e-49
0.223
BAR-COM-4e090d3a-30
0.223
MAT-POS-ea426761-85
0.221
MAR-TRE-be9ff7d2-17
0.221
NAU-LAT-64f4b287-9
0.221
ANT-DIA-b7f58f21-4
0.221
SAD-SAT-29425be4-4
0.220
MAR-TRE-799db12b-59
0.220
TAT-ENA-80bfd3e5-21
0.220
JAG-SYN-9c2cd0bd-8
0.220
BEN-DND-93268d01-7
0.219
AAR-UNI-c25c2f1e-33
0.219
SID-ELM-8b394441-1
0.218
MAR-TRE-f5c2d31c-66
0.218
AAR-UNI-c25c2f1e-67
0.218
MAR-TRE-66ac689e-47
0.218
THO-SYG-cc9e9a11-2
0.218
MAR-TRE-799db12b-81
0.218
SAD-SAT-135344c3-1
0.217
MAR-TRE-c8530538-21
0.217
ALP-POS-d7944b10-18
0.217
AAR-UNI-c25c2f1e-58
0.216
TRI-UNI-97428359-1
0.216
BAR-COM-0f94fc3d-4
0.215
BAR-COM-4e090d3a-4
0.215
MAR-TRE-74c6519b-52
0.214
MAR-TRE-8190bb11-40
0.214
ALF-EVA-46063d6e-5
0.214
JUA-UNI-b93289a4-2
0.213
AAR-UNI-c25c2f1e-61
0.213
MAR-TRE-3159af1a-5
0.213
MAR-TRE-6a44bbf2-9
0.213
MAR-TRE-799db12b-67
0.212
MAR-TRE-04c86cea-92
0.212
MAR-TRE-3e4e6814-55
0.212
MAR-LAB-ff9967db-12
0.212
SRE-UNK-d6ec0668-1
0.212
SRE-UNK-f31cebfc-1
0.212
LON-WEI-8f408cad-6
0.212
MAR-TRE-3159af1a-14
0.212
SAD-SAT-135344c3-3
0.212
AAR-UNI-c25c2f1e-101
0.212
MAR-TRE-8190bb11-85
0.211
MAT-POS-02ae579f-1
0.211
MAR-TRE-c317dd82-55
0.211
MAR-TRE-3159af1a-52
0.211
MAT-POS-ea426761-93
0.210
MAR-TRE-9d18ae8c-81
0.210
RED-RED-10c9212c-45
0.210