Molecular Properties | |
SMILES: | CC[C@H](C)C(=O)Nc1cccc(NC(=O)NCc2cccc(NC(N)=O)c2)c1 |
MW: | 383.2 |
Fraction sp3: | 0.25 |
HBA: | 3 |
HBD: | 5 |
Rotatable Bonds: | 7 |
TPSA: | 125.35 |
cLogP: | 3.48 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-9d18ae8c-30
0.506
AAR-UNI-c25c2f1e-82
0.455
AAR-UNI-c25c2f1e-31
0.412
MAR-TRE-799db12b-97
0.402
AAR-UNI-c25c2f1e-2
0.400
MAR-TRE-799db12b-16
0.398
AAR-UNI-c25c2f1e-8
0.386
AAR-UNI-c25c2f1e-35
0.378
AAR-UNI-c25c2f1e-3
0.356
AAR-UNI-c25c2f1e-65
0.349
RAL-MED-2de63afb-12
0.349
MAR-TRE-66ac689e-37
0.341
MAR-TRE-9d18ae8c-54
0.341
WIL-UNI-1faa9b10-23
0.337
MAR-TRE-9d18ae8c-53
0.337
ERI-BAS-bd3ef700-1
0.337
MAR-TRE-799db12b-27
0.333
MAR-TRE-9d18ae8c-43
0.330
AAR-UNI-c25c2f1e-75
0.330
MAR-TRE-9d18ae8c-18
0.326
AAR-UNI-c25c2f1e-53
0.323
MAR-TRE-4f781e27-2
0.322
MAR-TRE-9d18ae8c-52
0.322
AAR-UNI-c25c2f1e-24
0.320
AAR-UNI-c25c2f1e-78
0.318
MAR-TRE-799db12b-51
0.315
MAR-TRE-9d18ae8c-11
0.315
MAR-TRE-799db12b-24
0.311
MAR-TRE-799db12b-2
0.311
MAR-TRE-799db12b-3
0.311
MAR-TRE-799db12b-33
0.311
MAR-TRE-9d18ae8c-10
0.309
MAR-TRE-9d18ae8c-7
0.304
WIL-UNI-1faa9b10-46
0.302
SAD-SAT-135344c3-9
0.302
MAR-TRE-799db12b-4
0.299
MAR-TRE-92684b97-6
0.298
MAR-TRE-9d18ae8c-34
0.298
MAR-TRE-66ac689e-73
0.295
AAR-UNI-c25c2f1e-93
0.295
MAR-TRE-799db12b-76
0.292
MAR-TRE-9d18ae8c-16
0.292
RED-RED-10c9212c-15
0.286
MAR-TRE-799db12b-14
0.284
BAR-COM-4e090d3a-61
0.283
MAK-UNK-30aad1f1-6
0.283
MAK-UNK-009ebe36-7
0.283
AAR-UNI-c25c2f1e-74
0.281
BAR-COM-21d20d65-9
0.280
AAR-UNI-c25c2f1e-30
0.279
FRA-BIO-8bf1eac9-4
0.279
WIL-UNI-5578df48-28
0.278
AAR-UNI-c25c2f1e-40
0.276
AAR-UNI-c25c2f1e-46
0.274
JOH-UNI-c7afdb96-13
0.271
AAR-UNI-c25c2f1e-56
0.269
BAR-COM-21d20d65-1
0.268
MAR-TRE-a9136c7b-11
0.267
BAR-COM-21d20d65-8
0.266
WIL-UNI-5578df48-24
0.266
WIL-UNI-1faa9b10-47
0.265
WIL-UNI-2a57d06c-40
0.265
MAK-UNK-c8c8f7e2-17
0.264
BAR-COM-21d20d65-5
0.263
WIL-UNI-1faa9b10-12
0.263
WIL-UNI-5578df48-26
0.261
BAR-COM-4e090d3a-58
0.260
AAR-UNI-c25c2f1e-9
0.258
BAR-COM-4e090d3a-60
0.258
AAR-UNI-c25c2f1e-25
0.258
MAR-TRE-9d18ae8c-49
0.255
WIL-UNI-5578df48-25
0.255
MAR-TRE-f5c2d31c-39
0.255
MAK-UNK-7a704a63-8
0.253
MAK-UNK-c8c8f7e2-15
0.253
JOH-UNI-c7afdb96-7
0.253
MAR-TRE-9d18ae8c-36
0.253
MAR-TRE-f5c2d31c-63
0.252
BAR-COM-4e090d3a-63
0.250
WIL-UNI-5578df48-29
0.250
MAR-TRE-92684b97-55
0.250
BAR-COM-0f94fc3d-33
0.250
LON-WEI-5e7d1b3e-55
0.250
LON-WEI-4d77710c-55
0.250
BAR-COM-4e090d3a-48
0.248
AAR-UNI-c25c2f1e-7
0.248
MAT-GRU-7002a1a0-1
0.248
NIC-BIO-7d400292-3
0.247
BAR-COM-21d20d65-6
0.247
AAR-UNI-c25c2f1e-21
0.245
BAR-COM-21d20d65-2
0.245
JOH-UNI-c7afdb96-8
0.244
BAR-COM-4e090d3a-23
0.243
AAR-UNI-c25c2f1e-22
0.243
WIL-UNI-5578df48-27
0.242
AAR-UNI-c25c2f1e-51
0.241
MIC-UNK-2744a8e2-2
0.240
BAR-COM-21d20d65-4
0.240
MAK-UNK-942dcb71-3
0.239
TRY-UNI-9f475305-11
0.239