Molecular Properties | |
SMILES: | O=C(Nc1ccccc1)Nc1cnccc1Oc1cccc(Br)c1 |
MW: | 383.03 |
Fraction sp3: | 0.0 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 63.25 |
cLogP: | 5.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter9_metal
aryl bromide
AAR-POS-d2a4d1df-11
ALE-HEI-f28a35b5-1
0.472
TRY-UNI-714a760b-4
0.472
WIL-UNI-5578df48-10
0.423
MAK-UNK-129dcd6f-6
0.423
WIL-UNI-5578df48-11
0.407
WIL-UNI-5578df48-12
0.407
BAR-COM-0f94fc3d-23
0.395
MAK-UNK-129dcd6f-15
0.395
TRY-UNI-714a760b-8
0.385
MAK-UNK-129dcd6f-16
0.382
SID-ELM-8b394441-5
0.380
WIL-UNI-5578df48-9
0.379
AAR-POS-d2a4d1df-11
0.375
SID-ELM-b654bfa2-1
0.375
MAK-UNK-30aad1f1-15
0.374
MAK-UNK-129dcd6f-18
0.374
SID-ELM-2583a2cd-22
0.373
HAN-NEW-5f56c3bc-1
0.372
SID-ELM-8b394441-1
0.364
MAK-UNK-129dcd6f-1
0.363
SID-ELM-8b394441-7
0.361
MAK-UNK-129dcd6f-17
0.360
MAK-UNK-30aad1f1-4
0.358
PET-SGC-0f1d26ed-2
0.357
SID-ELM-2583a2cd-11
0.357
MAK-UNK-129dcd6f-7
0.356
SID-ELM-2583a2cd-5
0.355
DAR-DIA-03336633-11
0.354
SID-ELM-8b394441-6
0.354
SID-ELM-2583a2cd-9
0.353
SID-ELM-2583a2cd-20
0.353
SID-ELM-b654bfa2-3
0.349
SID-ELM-8b394441-3
0.346
PET-SGC-0f1d26ed-1
0.345
MAK-UNK-129dcd6f-8
0.344
CHR-SOS-363cfb78-3
0.344
SID-ELM-2583a2cd-10
0.341
SID-ELM-2583a2cd-17
0.341
SID-ELM-2583a2cd-8
0.341
SID-ELM-b654bfa2-2
0.337
CHR-SOS-363cfb78-7
0.333
HAN-NEW-5f56c3bc-3
0.333
JAG-UCB-cedd89ab-8
0.333
TRY-UNI-714a760b-24
0.333
DAR-DIA-03336633-1
0.333
TRY-UNI-714a760b-12
0.333
SID-ELM-2583a2cd-6
0.333
WAR-XCH-b0339bbe-9
0.327
JAN-GHE-83b26c96-12
0.326
SID-ELM-2583a2cd-7
0.325
MAK-UNK-37f1d6fa-4
0.324
ROD-LAS-d5538ff9-9
0.322
CHR-SOS-363cfb78-5
0.317
MAK-UNK-30aad1f1-9
0.316
DAR-DIA-0cde14eb-9
0.312
SID-ELM-2583a2cd-14
0.310
DAR-DIA-0cde14eb-5
0.308
CHR-SOS-363cfb78-6
0.308
MAK-UNK-ae34c249-4
0.306
MAK-UNK-de8f6d00-6
0.306
DAR-DIA-0cde14eb-6
0.304
DAR-DIA-0cde14eb-7
0.304
DAR-DIA-0cde14eb-8
0.304
MAK-UNK-30aad1f1-16
0.301
JIN-POS-6dc588a4-3
0.300
SID-ELM-8b394441-12
0.300
MAR-TRE-9d18ae8c-52
0.298
ERI-UCB-ce40166b-4
0.297
SID-ELM-8b394441-8
0.297
AAR-UNI-c25c2f1e-40
0.295
CHR-SOS-363cfb78-2
0.292
SID-ELM-8b394441-13
0.292
SID-ELM-b654bfa2-6
0.292
MAK-UNK-30aad1f1-17
0.292
MAK-UNK-10dfa458-24
0.292
CHR-SOS-363cfb78-4
0.291
JIN-POS-6dc588a4-6
0.290
SID-ELM-8b394441-15
0.289
MAX-MCD-16e3709a-1
0.288
CHR-SOS-1f323c23-10
0.286
SID-ELM-8b394441-9
0.286
BAR-COM-5694a99d-2
0.284
ALP-POS-ddb41b15-7
0.284
MAK-UNK-129dcd6f-9
0.284
MAK-UNK-10dfa458-31
0.284
AAR-UNI-c25c2f1e-30
0.284
BAR-COM-0f94fc3d-60
0.283
SID-ELM-b654bfa2-22
0.283
MAK-UNK-30aad1f1-3
0.281
CHR-SOS-1f323c23-7
0.280
TRY-UNI-714a760b-23
0.280
MAK-UNK-129dcd6f-3
0.280
MAK-UNK-129dcd6f-4
0.278
TRY-UNI-714a760b-9
0.278
SID-ELM-b654bfa2-19
0.278
AAR-UNI-c25c2f1e-65
0.278
NIC-UNI-0cb6411b-1
0.277
WAR-XCH-eb7b662f-6
0.277
DAR-DIA-fc970077-9
0.277
WIL-UNI-5578df48-6
0.277