Molecular Properties | |
SMILES: | O=C(NCc1ccccc1)NCc1cccc(NC(=O)c2ccccc2)c1 |
MW: | 359.16 |
Fraction sp3: | 0.09 |
HBA: | 2 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 70.23 |
cLogP: | 3.94 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-UNI-c25c2f1e-82
0.738
AAR-UNI-c25c2f1e-35
0.698
MAR-TRE-9d18ae8c-18
0.600
AAR-UNI-c25c2f1e-65
0.559
AAR-UNI-c25c2f1e-9
0.542
AAR-UNI-c25c2f1e-31
0.466
MAR-TRE-799db12b-2
0.455
MAR-TRE-9d18ae8c-7
0.443
MAR-TRE-9d18ae8c-11
0.438
MAR-TRE-9d18ae8c-52
0.430
MAR-TRE-4f781e27-2
0.430
AAR-UNI-c25c2f1e-24
0.419
MAR-TRE-799db12b-97
0.415
CHR-SOS-7098f804-9
0.414
AAR-UNI-c25c2f1e-78
0.413
MAR-TRE-9d18ae8c-10
0.410
AAR-UNI-c25c2f1e-18
0.400
MAR-TRE-799db12b-3
0.400
AAR-UNI-c25c2f1e-8
0.398
MAR-TRE-92684b97-6
0.381
MAR-TRE-799db12b-16
0.375
MAR-TRE-6a44bbf2-71
0.375
MAR-TRE-9d18ae8c-43
0.369
MAR-TRE-799db12b-51
0.369
MAR-TRE-66ac689e-37
0.367
AAR-UNI-c25c2f1e-3
0.366
MAR-TRE-799db12b-24
0.366
MAR-TRE-9d18ae8c-53
0.362
MAR-TRE-9d18ae8c-30
0.361
AAR-UNI-c25c2f1e-51
0.360
MAR-TRE-799db12b-27
0.358
MAR-TRE-9d18ae8c-9
0.357
MAR-TRE-9d18ae8c-54
0.349
MAR-TRE-799db12b-33
0.349
MAR-TRE-799db12b-14
0.349
AAR-UNI-c25c2f1e-25
0.349
WIL-UNI-1faa9b10-23
0.346
RAL-MED-2de63afb-12
0.342
MAR-TRE-9d18ae8c-34
0.333
MAR-TRE-799db12b-4
0.333
AAR-UNI-c25c2f1e-30
0.333
CHR-SOS-7098f804-6
0.333
AAR-UNI-c25c2f1e-74
0.330
MAR-TRE-a9136c7b-11
0.326
MAR-TRE-9d18ae8c-16
0.326
MAR-TRE-799db12b-76
0.326
MAR-TRE-66ac689e-31
0.321
AAR-UNI-c25c2f1e-21
0.318
MAR-TRE-4f781e27-47
0.314
MAR-TRE-92684b97-55
0.313
AAR-UNI-c25c2f1e-87
0.311
MAR-TRE-fd17a9b8-37
0.309
WIL-UNI-1faa9b10-51
0.309
NIC-UNI-0cb6411b-1
0.304
AAR-POS-fca48359-1
0.304
SAD-SAT-2fd372d1-2
0.303
MAR-TRE-8190bb11-4
0.302
NAU-LAT-64f4b287-9
0.301
MAR-TRE-66ac689e-73
0.301
AAR-UNI-c25c2f1e-27
0.299
CHR-SOS-7098f804-8
0.296
MAR-TRE-799db12b-40
0.295
BAR-COM-4e090d3a-11
0.294
MAR-TRE-fd17a9b8-63
0.294
ERI-BAS-bd3ef700-1
0.291
MAR-TRE-f6f5f473-90
0.289
AAR-UNI-c25c2f1e-56
0.287
MAK-UNK-30aad1f1-6
0.287
MED-COV-4280ac29-1
0.287
MAK-UNK-10799360-32
0.286
MAK-UNK-10799360-2
0.286
RUT-UNI-630c5802-14
0.284
MAR-TRE-9d18ae8c-36
0.284
JOH-UNI-c7afdb96-15
0.284
GIA-UNK-3f36037a-5
0.284
DAV-IMP-59dd6621-27
0.283
IAN-BAS-e945b602-1
0.281
AAR-UNI-c25c2f1e-40
0.280
AAR-UNI-c25c2f1e-46
0.278
RUT-UNI-630c5802-6
0.277
WIL-UNI-1faa9b10-46
0.277
MAT-GRU-7002a1a0-1
0.277
AAR-UNI-c25c2f1e-7
0.277
AAR-UNI-c25c2f1e-75
0.276
MAR-TRE-a3327163-36
0.275
MAR-TRE-4b834d9a-57
0.275
RUT-UNI-630c5802-10
0.275
MAR-LAB-ff9967db-35
0.274
BAR-COM-4e090d3a-61
0.274
MAR-TRE-9d18ae8c-46
0.273
RUT-UNI-630c5802-7
0.272
MAR-TRE-9d18ae8c-49
0.272
MAR-TRE-799db12b-39
0.271
MAR-TRE-9d18ae8c-2
0.271
RUT-UNI-630c5802-2
0.270
AAR-UNI-c25c2f1e-39
0.270
MAR-TRE-799db12b-43
0.270
BAR-COM-21d20d65-4
0.270
NIC-UNI-80385019-1
0.268
WIL-UNI-5578df48-28
0.267