Molecular Properties | |
SMILES: | O=C(NCc1cccc(NC(=O)c2ccccc2)c1)Nc1ccccc1 |
MW: | 345.15 |
Fraction sp3: | 0.05 |
HBA: | 2 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 70.23 |
cLogP: | 4.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-UNI-c25c2f1e-2
0.738
AAR-UNI-c25c2f1e-65
0.656
MAR-TRE-9d18ae8c-18
0.600
AAR-UNI-c25c2f1e-31
0.551
AAR-UNI-c25c2f1e-35
0.507
MAR-TRE-9d18ae8c-52
0.507
AAR-UNI-c25c2f1e-78
0.493
CHR-SOS-7098f804-9
0.491
AAR-UNI-c25c2f1e-9
0.461
AAR-UNI-c25c2f1e-18
0.455
MAR-TRE-799db12b-2
0.455
MAR-TRE-4f781e27-2
0.449
AAR-UNI-c25c2f1e-30
0.444
MAR-TRE-9d18ae8c-7
0.443
MAR-TRE-9d18ae8c-11
0.438
MAR-TRE-799db12b-97
0.432
AAR-UNI-c25c2f1e-8
0.415
MAR-TRE-9d18ae8c-10
0.410
AAR-UNI-c25c2f1e-46
0.403
AAR-UNI-c25c2f1e-51
0.397
MAR-TRE-799db12b-3
0.383
MAR-TRE-92684b97-6
0.381
MAR-TRE-6a44bbf2-71
0.375
MAR-TRE-799db12b-16
0.375
AAR-UNI-c25c2f1e-24
0.371
MAR-TRE-9d18ae8c-43
0.369
MAR-TRE-799db12b-51
0.369
MAR-TRE-66ac689e-37
0.367
AAR-UNI-c25c2f1e-3
0.366
NIC-UNI-0cb6411b-1
0.364
MAR-TRE-9d18ae8c-53
0.362
RAL-MED-2de63afb-12
0.359
MAR-TRE-799db12b-27
0.358
AAR-UNI-c25c2f1e-79
0.355
CHR-SOS-7098f804-6
0.353
CHR-SOS-7098f804-8
0.353
MAR-TRE-9d18ae8c-54
0.349
MAR-TRE-799db12b-24
0.349
MAR-TRE-799db12b-33
0.349
WIL-UNI-1faa9b10-23
0.346
MAR-TRE-9d18ae8c-30
0.345
ERI-BAS-bd3ef700-1
0.343
MAR-TRE-9d18ae8c-9
0.341
MAR-TRE-799db12b-4
0.333
MAR-TRE-799db12b-14
0.333
AAR-UNI-c25c2f1e-16
0.333
MAR-TRE-9d18ae8c-34
0.333
AAR-UNI-c25c2f1e-74
0.330
AAR-UNI-c25c2f1e-40
0.329
AAR-UNI-c25c2f1e-100
0.329
MAR-TRE-a9136c7b-11
0.326
MAR-TRE-9d18ae8c-16
0.326
MAR-TRE-799db12b-76
0.326
AAR-UNI-c25c2f1e-64
0.322
MAR-TRE-66ac689e-31
0.321
AAR-POS-fca48359-1
0.321
AAR-UNI-c25c2f1e-25
0.318
MAR-TRE-4f781e27-47
0.314
MAR-TRE-92684b97-55
0.313
AAR-UNI-c25c2f1e-87
0.311
RUT-UNI-630c5802-14
0.310
MAX-MCD-16e3709a-1
0.308
SAD-SAT-135344c3-9
0.308
WES-WAB-6f418dc2-1
0.307
AAR-UNI-c25c2f1e-97
0.305
RUT-UNI-630c5802-15
0.304
RUT-UNI-630c5802-11
0.304
RUT-UNI-630c5802-4
0.303
MAR-TRE-8190bb11-4
0.302
SID-ELM-2583a2cd-6
0.301
AAR-UNI-c25c2f1e-71
0.301
MAR-TRE-66ac689e-73
0.301
MAK-UNK-009ebe36-7
0.301
BAR-COM-4e090d3a-61
0.301
RUT-UNI-630c5802-10
0.300
AAR-UNI-c25c2f1e-39
0.299
RUT-UNI-630c5802-7
0.297
WIL-UNI-5578df48-11
0.296
RUT-UNI-630c5802-2
0.296
MAR-TRE-799db12b-40
0.295
MAK-UNK-30aad1f1-3
0.295
IAN-BAS-e945b602-1
0.295
NAU-LAT-64f4b287-8
0.295
GIA-UNK-3f36037a-7
0.294
BAR-COM-4e090d3a-11
0.294
MAR-TRE-fd17a9b8-63
0.294
WES-WAB-2b40d25a-1
0.293
RUT-UNI-630c5802-16
0.291
RED-RED-10c9212c-15
0.291
RUT-UNI-630c5802-6
0.290
MAR-TRE-fd17a9b8-37
0.290
AAR-UNI-c25c2f1e-45
0.289
SID-ELM-2583a2cd-5
0.288
MAK-UNK-30aad1f1-6
0.287
AAR-POS-d2a4d1df-11
0.286
SAD-SAT-6b5a89f0-8
0.286
MAR-TRE-4f781e27-49
0.286
MAR-TRE-9d18ae8c-36
0.284
SID-ELM-8b394441-7
0.284
WAR-XCH-79d12f6e-3
0.284