Molecular Properties | |
SMILES: | O=c1c2ccc(Br)cc2n(-c2ccccc2)c(=O)n1-c1cccnc1 |
MW: | 394.228 |
Fraction sp3: | 0.0 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 56.89 |
cLogP: | 3.2991 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter9_metal
aryl bromide
AAR-POS-d2a4d1df-11
RAI-NOV-c18e0037-4
0.636
MAK-UNK-9e4a73aa-11
0.600
MAK-UNK-9e4a73aa-23
0.597
MAK-UNK-9e4a73aa-24
0.597
MAK-UNK-9e4a73aa-27
0.597
MAK-UNK-9e4a73aa-25
0.597
RAI-NOV-c18e0037-2
0.597
MAK-UNK-9e4a73aa-22
0.597
MAK-UNK-9e4a73aa-26
0.597
MAK-UNK-9e4a73aa-10
0.592
MAK-UNK-9e4a73aa-12
0.589
MAK-UNK-9e4a73aa-35
0.500
MAK-UNK-9e4a73aa-18
0.486
MAK-UNK-9e4a73aa-20
0.475
MAK-UNK-9e4a73aa-19
0.474
RAI-NOV-c18e0037-7
0.465
MAK-UNK-9e4a73aa-8
0.463
MAK-UNK-9e4a73aa-21
0.463
MAK-UNK-9e4a73aa-34
0.457
MAK-UNK-9e4a73aa-7
0.444
MAK-UNK-9e4a73aa-36
0.440
MAK-UNK-9e4a73aa-17
0.440
RAI-NOV-c18e0037-3
0.434
MAK-UNK-9e4a73aa-28
0.427
MAK-UNK-9e4a73aa-33
0.419
MAK-UNK-9e4a73aa-16
0.415
MAK-UNK-9e4a73aa-15
0.407
MAK-UNK-9e4a73aa-29
0.405
MAK-UNK-9e4a73aa-32
0.398
MAK-UNK-9e4a73aa-1
0.392
NIM-UNI-0ea3b7bf-4
0.388
MAK-UNK-9e4a73aa-9
0.386
MAK-UNK-9e4a73aa-13
0.376
MAK-UNK-9e4a73aa-14
0.376
MAR-TRE-04c86cea-13
0.360
MAK-UNK-9e4a73aa-31
0.360
DAR-DIA-fc970077-3
0.338
MAK-UNK-9e4a73aa-30
0.337
PET-UNK-94460c07-5
0.333
DAR-DIA-fc970077-1
0.329
DAR-DIA-fc970077-10
0.316
DAR-DIA-fc970077-6
0.316
PET-UNK-94460c07-6
0.315
RAI-NOV-c18e0037-5
0.304
MAR-TRE-f6f5f473-20
0.299
MAR-TRE-b77b7921-87
0.299
PET-UNK-4dc48bbe-5
0.298
NIM-UNI-534877e5-2
0.296
NIM-UNI-534877e5-1
0.289
NIM-UNI-0ea3b7bf-1
0.289
NIM-UNI-36e12f95-4
0.289
DAR-DIA-fc970077-5
0.287
NIM-UNI-36e12f95-3
0.287
DAR-DIA-fc970077-2
0.280
SIM-SYN-a98e6a07-5
0.280
MAK-UNK-9e4a73aa-3
0.277
DAR-DIA-fc970077-11
0.274
DAR-DIA-fc970077-4
0.274
NIM-UNI-7f77122c-1
0.272
MAR-TRE-74c6519b-18
0.272
DAR-DIA-fc970077-7
0.271
NIM-UNI-0ea3b7bf-2
0.267
PET-UNK-4dc48bbe-3
0.267
RAI-NOV-c18e0037-6
0.266
NIM-UNI-534877e5-3
0.263
MAK-UNK-9e4a73aa-2
0.263
EMI-TUK-b780fc43-1
0.261
EMI-TUK-6c6b371f-1
0.261
STE-UNK-28609fce-1
0.260
DAR-DIA-fc970077-12
0.259
SIM-SYN-a98e6a07-6
0.258
MAR-TRE-74c6519b-26
0.256
DAR-DIA-fc970077-8
0.256
ZAC-MCD-b48cf8fd-1
0.248
KEN-MCD-4729dc98-1
0.248
MAK-UNK-2c1752f0-3
0.246
NIM-UNI-36e12f95-1
0.244
MAR-TRE-74c6519b-45
0.243
NIM-UNI-36e12f95-5
0.242
NIM-UNI-0ea3b7bf-5
0.241
MAR-TRE-2fd8122f-47
0.240
SAN-PRI-c9355cc8-2
0.238
NIM-UNI-36e12f95-2
0.238
MAR-TRE-f6f5f473-94
0.237
PET-UNK-4dc48bbe-2
0.236
MAR-TRE-04c86cea-21
0.235
MAR-TRE-04c86cea-52
0.235
MAR-TRE-f6f5f473-34
0.235
MAR-TRE-3e4e6814-69
0.234
MAR-TRE-04c86cea-45
0.233
MAR-TRE-3e4e6814-18
0.232
MAR-TRE-04c86cea-58
0.229
NIM-UNI-0ea3b7bf-3
0.229
MAR-TRE-74c6519b-77
0.227
DAR-DIA-5d6f1b43-33
0.227
VLA-UNK-792b5d03-1
0.227
MAR-TRE-04c86cea-60
0.226
MAR-TRE-d0525fbf-79
0.226
MAR-TRE-f6f5f473-53
0.225
ERI-UCB-ce40166b-24
0.225