Molecular Properties | |
SMILES: | O=C(NCCc1c[nH]c2c(F)cc(Cl)cc12)c1cncnc1 |
MW: | 318.07 |
Fraction sp3: | 0.13 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 70.67 |
cLogP: | 2.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-e82e6c98-51
0.557
MAR-TRE-4f781e27-23
0.525
MAR-TRE-4f781e27-82
0.519
MAR-TRE-4f781e27-81
0.487
MAR-TRE-92684b97-67
0.481
MAR-TRE-be9ff7d2-73
0.459
MAR-TRE-8190bb11-95
0.410
ROB-UNI-b2e39629-6
0.381
MAR-TRE-e82e6c98-57
0.375
MAR-TRE-8190bb11-88
0.372
MAR-TRE-8190bb11-96
0.370
MAR-TRE-be9ff7d2-90
0.362
MAR-TRE-4f781e27-85
0.362
MAR-TRE-e82e6c98-75
0.361
MAR-TRE-be9ff7d2-37
0.360
MAR-TRE-c317dd82-56
0.359
MAR-TRE-8190bb11-42
0.358
MAR-TRE-e82e6c98-50
0.353
MAR-TRE-be9ff7d2-40
0.353
MAR-TRE-4f781e27-16
0.353
ROB-UNI-b2e39629-4
0.352
BEN-DND-362d364a-8
0.352
MAR-TRE-4f781e27-96
0.349
MAR-TRE-e82e6c98-85
0.348
MAR-TRE-c317dd82-35
0.341
MAR-TRE-c317dd82-63
0.337
MAR-TRE-e82e6c98-76
0.337
MAR-TRE-4f781e27-84
0.337
NAU-LAT-30527ac5-5
0.337
NAU-LAT-0543f7f2-3
0.337
NAU-LAT-30527ac5-4
0.330
MAR-TRE-c317dd82-26
0.330
JOK-SYG-b7365cd7-1
0.330
MAR-TRE-92684b97-72
0.329
MAR-TRE-8190bb11-64
0.326
MAR-TRE-92684b97-91
0.326
SAN-PRS-3c4a6997-1
0.325
MAR-TRE-e82e6c98-26
0.325
MAR-TRE-e82e6c98-5
0.322
MAR-TRE-799db12b-7
0.322
MAR-TRE-be9ff7d2-41
0.321
MAR-TRE-4f781e27-58
0.318
MAR-TRE-be9ff7d2-61
0.318
MAR-TRE-66ac689e-59
0.318
MAK-UNK-be5ffcbc-9
0.318
ROB-UNI-b2e39629-2
0.317
DAR-DIA-fb20be43-15
0.316
ASH-UNK-40b46b30-5
0.316
MAR-TRE-4f781e27-83
0.315
MAR-TRE-be9ff7d2-89
0.315
MAR-TRE-e82e6c98-91
0.315
MAK-UNK-37f1d6fa-3
0.314
MAR-TRE-92684b97-88
0.314
MAR-TRE-a9136c7b-36
0.314
MAR-TRE-be9ff7d2-48
0.313
MAR-TRE-e82e6c98-47
0.313
MAR-TRE-92684b97-78
0.312
MAR-TRE-8190bb11-76
0.312
MAR-TRE-e82e6c98-18
0.311
MAR-TRE-a9136c7b-90
0.311
ROM-UNK-ef52a3c9-4
0.309
MAR-TRE-e82e6c98-95
0.308
MAR-TRE-e82e6c98-29
0.307
MAR-TRE-a9136c7b-66
0.306
MAR-TRE-4f781e27-49
0.305
MAR-TRE-799db12b-68
0.304
MAR-TRE-66ac689e-74
0.304
MAR-TRE-799db12b-75
0.304
MAR-TRE-be9ff7d2-67
0.304
MAR-TRE-8190bb11-33
0.303
FRA-DIA-8640f307-3
0.303
MAR-TRE-799db12b-96
0.302
MAR-TRE-92684b97-75
0.302
MAR-TRE-799db12b-61
0.302
MAR-TRE-a9136c7b-48
0.302
MAR-TRE-be9ff7d2-65
0.301
MAR-TRE-e82e6c98-43
0.301
MAR-TRE-92684b97-46
0.301
MAR-TRE-8190bb11-39
0.301
MAR-TRE-799db12b-15
0.300
MAR-TRE-c317dd82-70
0.300
MAR-TRE-8190bb11-36
0.299
MAR-TRE-e82e6c98-22
0.299
MAR-TRE-66ac689e-13
0.299
MAR-TRE-e82e6c98-54
0.298
MAR-TRE-4f781e27-7
0.297
MAR-TRE-92684b97-53
0.297
MAR-TRE-66ac689e-21
0.297
MAR-TRE-8190bb11-30
0.297
WIL-LEE-1f71e281-6
0.297
MAK-UNK-37f1d6fa-7
0.296
NAU-LAT-30527ac5-6
0.296
NAU-LAT-81109c57-5
0.296
MAR-TRE-be9ff7d2-5
0.296
MAR-TRE-c317dd82-92
0.295
MAR-TRE-be9ff7d2-19
0.295
MAR-TRE-a9136c7b-33
0.295
MAR-TRE-66ac689e-12
0.295
NAU-LAT-0543f7f2-4
0.295
MAR-TRE-be9ff7d2-57
0.295