Molecular Properties | |
SMILES: | O=C(NCCc1c[nH]c2ccc(Br)cc12)c1cncnc1 |
MW: | 344.03 |
Fraction sp3: | 0.13 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 70.67 |
cLogP: | 2.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter9_metal
aryl bromide
MAR-TRE-be9ff7d2-73
0.671
MAR-TRE-e82e6c98-51
0.571
MAR-TRE-4f781e27-82
0.571
MAR-TRE-c317dd82-56
0.537
MAR-TRE-4f781e27-26
0.524
MAR-TRE-4f781e27-23
0.500
MAR-TRE-4f781e27-81
0.500
MAR-TRE-be9ff7d2-39
0.481
MAK-UNK-37f1d6fa-3
0.447
MAK-UNK-37f1d6fa-7
0.438
MAK-UNK-37f1d6fa-6
0.429
AAR-POS-d2a4d1df-2
0.421
MAR-TRE-4f781e27-16
0.412
JOH-MSK-a63bdd1d-4
0.408
MAR-UCB-195bc32d-16
0.408
MAK-UNK-be5ffcbc-8
0.405
SAN-PRS-3c4a6997-1
0.403
MAR-TRE-be9ff7d2-10
0.402
MAR-TRE-be9ff7d2-37
0.400
ALE-ACE-2610ee4d-1
0.392
JOH-MSK-35a8745a-1
0.392
MAR-UCB-195bc32d-21
0.392
NAU-LAT-81109c57-8
0.390
MAR-TRE-4f781e27-96
0.390
MAK-UNK-37f1d6fa-2
0.389
MAT-GIT-deadff56-1
0.388
DUN-NEW-f8ce3686-12
0.388
JOH-MEM-4bb7e4cc-1
0.388
MAR-TRE-8190bb11-95
0.386
NAU-LAT-81109c57-1
0.386
MAK-UNK-37f1d6fa-1
0.379
MAK-UNK-be5ffcbc-1
0.375
MAK-UNK-10572812-16
0.374
NAU-LAT-81109c57-4
0.374
MAR-TRE-92684b97-78
0.373
MAK-UNK-37f1d6fa-4
0.373
MAR-TRE-4f781e27-85
0.372
MAR-TRE-e82e6c98-75
0.370
MAR-TRE-c317dd82-38
0.370
JOH-MSK-a63bdd1d-5
0.369
MAK-UNK-be5ffcbc-7
0.363
MAR-TRE-8190bb11-96
0.362
MAR-TRE-be9ff7d2-40
0.361
NAU-LAT-81109c57-2
0.356
JOH-MSK-a63bdd1d-6
0.354
MAR-TRE-4f781e27-43
0.354
MAR-TRE-4f781e27-94
0.352
MAR-TRE-be9ff7d2-7
0.348
MAR-TRE-4f781e27-49
0.346
MAK-UNK-10572812-14
0.345
MAR-TRE-85681e92-10
0.345
ROM-UNK-ef52a3c9-4
0.344
FRA-LAB-04e32718-1
0.344
MAR-TRE-4f781e27-19
0.341
MAR-TRE-4f781e27-75
0.341
MAR-TRE-4f39ef4a-51
0.341
MAR-TRE-e82e6c98-85
0.341
MAK-UNK-be5ffcbc-3
0.340
MAR-TRE-be9ff7d2-90
0.338
MAR-TRE-9d18ae8c-33
0.337
MAR-TRE-c317dd82-26
0.337
MAR-TRE-4f781e27-6
0.337
MAR-TRE-9d18ae8c-91
0.337
SAN-PRS-3c4a6997-2
0.333
MAR-TRE-66ac689e-91
0.333
MAR-TRE-8190bb11-30
0.333
MAR-TRE-8190bb11-42
0.333
MAR-TRE-85681e92-12
0.333
MAR-TRE-85681e92-60
0.333
MAK-UNK-10572812-17
0.330
MAR-TRE-e82e6c98-29
0.329
MAR-TRE-e82e6c98-76
0.329
MAR-TRE-9d18ae8c-89
0.329
MAR-TRE-be9ff7d2-67
0.329
MAK-UNK-10572812-15
0.327
MAR-TRE-4f781e27-69
0.326
MAR-TRE-92684b97-64
0.326
MAR-TRE-4f781e27-58
0.326
MAR-UNI-9ca61fdc-1
0.325
MAR-TRE-66ac689e-59
0.325
MAR-TRE-4f781e27-83
0.322
MAR-TRE-85681e92-45
0.322
MAR-TRE-e82e6c98-91
0.322
MAR-TRE-66ac689e-35
0.322
MAR-TRE-a9136c7b-60
0.322
MAR-TRE-e82e6c98-22
0.321
MAR-TRE-8190bb11-78
0.321
MAR-TRE-4f781e27-74
0.321
MAR-TRE-e82e6c98-47
0.321
MAR-TRE-85681e92-38
0.319
MAR-TRE-e82e6c98-18
0.318
MAR-TRE-92684b97-53
0.318
MAR-TRE-92684b97-91
0.318
MAR-TRE-c317dd82-92
0.318
MAR-TRE-e82e6c98-26
0.317
MAR-TRE-4f781e27-12
0.317
MAR-TRE-92684b97-35
0.317
MAR-TRE-4f781e27-73
0.317
MAR-TRE-be9ff7d2-5
0.316
MAR-TRE-9d18ae8c-81
0.315