Molecular Properties | |
SMILES: | O=C(Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2)c1cncnc1 |
MW: | 376.12 |
Fraction sp3: | 0.1 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 102.44 |
cLogP: | 2.39 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-9d18ae8c-83
0.585
MAR-TRE-4f781e27-34
0.566
MAR-TRE-799db12b-60
0.548
MAR-TRE-8190bb11-51
0.519
MAR-TRE-799db12b-20
0.506
MAR-TRE-799db12b-63
0.471
MAR-TRE-8190bb11-17
0.456
JOH-UNI-e19b918c-4
0.444
AAR-POS-d2a4d1df-31
0.432
LON-WEI-4d77710c-10
0.408
LON-WEI-5e7d1b3e-10
0.408
LON-WEI-5e7d1b3e-55
0.400
LON-WEI-4d77710c-55
0.400
MAR-TRE-fd17a9b8-13
0.393
MAR-TRE-9d18ae8c-14
0.385
MAR-TRE-a9136c7b-71
0.379
MAR-TRE-9d18ae8c-66
0.378
MAR-TRE-4f781e27-53
0.378
MAR-TRE-fd17a9b8-77
0.376
MAR-TRE-a9136c7b-62
0.372
MAR-TRE-799db12b-74
0.367
MAR-TRE-9d18ae8c-52
0.365
MAR-TRE-d0525fbf-39
0.364
MAR-TRE-66ac689e-30
0.363
MAR-TRE-c317dd82-90
0.362
MAR-TRE-f5c2d31c-59
0.360
MAR-TRE-fd17a9b8-7
0.357
MAR-TRE-fd17a9b8-44
0.356
MAR-TRE-799db12b-3
0.354
MAR-TRE-9d18ae8c-18
0.354
MAR-TRE-9d18ae8c-35
0.351
MAR-TRE-0fda4e82-9
0.347
MAR-TRE-9d18ae8c-69
0.344
MAR-TRE-66ac689e-40
0.344
MAR-TRE-4f781e27-88
0.344
MAR-TRE-d0525fbf-52
0.343
MAR-TRE-799db12b-2
0.340
MAR-TRE-66ac689e-24
0.340
MAR-TRE-66ac689e-19
0.340
MAR-TRE-66ac689e-54
0.340
MAR-TRE-d0525fbf-80
0.339
MAR-TRE-799db12b-44
0.337
MAR-TRE-4f781e27-92
0.337
MAR-TRE-4f781e27-2
0.337
MAR-TRE-9d18ae8c-10
0.337
MAR-TRE-9d18ae8c-16
0.333
MAR-TRE-9d18ae8c-7
0.333
MAR-TRE-799db12b-16
0.333
MAR-TRE-66ac689e-12
0.333
MAR-TRE-799db12b-27
0.333
MAR-TRE-9d18ae8c-11
0.330
MAR-TRE-799db12b-51
0.330
MAR-TRE-92684b97-6
0.327
MAR-TRE-9d18ae8c-34
0.327
MAR-TRE-799db12b-14
0.327
MAR-TRE-799db12b-24
0.327
MAR-TRE-9d18ae8c-46
0.327
MAR-TRE-66ac689e-50
0.326
MAR-TRE-66ac689e-37
0.326
MAR-TRE-66ac689e-73
0.326
MAR-TRE-9d18ae8c-65
0.324
MAR-TRE-9d18ae8c-30
0.323
MAR-TRE-9d18ae8c-36
0.323
MAR-TRE-66ac689e-33
0.323
MAR-TRE-92684b97-81
0.323
MAR-TRE-9d18ae8c-53
0.323
MAR-TRE-92684b97-11
0.323
MAR-TRE-92684b97-78
0.322
MAR-TRE-a9136c7b-37
0.320
MAR-TRE-9d18ae8c-6
0.320
MAR-TRE-8190bb11-86
0.320
YUN-WES-85ecc354-1
0.317
YUN-WES-58b0dbae-6
0.317
MAR-TRE-9d18ae8c-43
0.317
MAR-TRE-799db12b-69
0.317
MAR-TRE-8190bb11-31
0.317
MAR-TRE-a3327163-47
0.316
MAR-TRE-799db12b-35
0.315
MAR-TRE-799db12b-4
0.314
MAR-TRE-799db12b-97
0.314
MAR-TRE-9d18ae8c-54
0.313
MAR-TRE-799db12b-59
0.313
MAR-TRE-799db12b-33
0.313
MAR-TRE-4f781e27-100
0.312
MAR-TRE-4f781e27-19
0.312
MAR-TRE-8190bb11-80
0.310
MAR-TRE-a9136c7b-11
0.308
MAR-TRE-e86a56b5-54
0.308
MAR-TRE-4f781e27-67
0.307
MAR-TRE-66ac689e-1
0.307
MAR-TRE-92684b97-82
0.306
MAR-TRE-9d18ae8c-70
0.306
MAR-TRE-8190bb11-7
0.306
MAR-TRE-be9ff7d2-17
0.305
MAR-TRE-799db12b-18
0.305
MAR-TRE-4f781e27-12
0.304
MAR-LAB-ff9967db-28
0.304
MAR-TRE-8190bb11-8
0.304
ARI-TAT-5792557e-1
0.304
JOH-UNI-e19b918c-8
0.303