Molecular Properties | |
SMILES: | CC(=O)N1CCN(Cc2ccc3nc(C(N)=O)ccc3c2Br)C[C@@H](c2cccnc2)C1 |
MW: | 482.382 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 92.42 |
cLogP: | 2.9391 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Filter9_metal
aryl bromide
KEI-UNI-85a52787-6
0.761
KEI-UNI-85a52787-7
0.750
KEI-UNI-85a52787-9
0.734
KEI-UNI-85a52787-2
0.604
KEI-UNI-85a52787-4
0.588
KEI-UNI-85a52787-5
0.587
KEI-UNI-85a52787-10
0.577
KEI-UNI-85a52787-1
0.528
KEI-UNI-85a52787-3
0.519
MIH-UNI-e573136b-2
0.299
NIM-UNI-363644a0-1
0.286
MIC-UNK-460e637d-3
0.268
JUL-TUD-06b2044f-128
0.264
MIH-UNI-e573136b-3
0.262
DUN-NEW-d8381160-1
0.259
BEN-DND-031a96cc-3
0.259
MAR-TRE-dab8f6ea-28
0.259
BEN-DND-031a96cc-7
0.256
DRR-IMP-38dce17f-4
0.253
MAK-UNK-10799360-14
0.250
DAR-DIA-fc970077-4
0.250
JUL-TUD-06b2044f-126
0.248
BEN-DND-6de5dfa0-17
0.245
JOO-PER-58e158bd-1
0.241
SAD-SAT-b55127ae-4
0.238
EDJ-MED-3c65e9ce-2
0.236
BEN-DND-6de5dfa0-19
0.236
BEN-DND-6de5dfa0-25
0.236
ANU-UNK-2781581f-2
0.235
THO-SYG-f9b2970d-4
0.235
KTA-UNK-dac325de-1
0.234
BEN-DND-6de5dfa0-27
0.234
JUL-TUD-06b2044f-57
0.233
EDJ-MED-3c65e9ce-3
0.230
BEN-DND-6de5dfa0-21
0.229
STE-KUL-2e0d2e88-3
0.229
BEN-DND-6de5dfa0-20
0.229
MAR-TRE-2fd8122f-30
0.229
MAR-TRE-c8530538-63
0.228
SAD-SAT-135344c3-9
0.227
BEN-DND-93268d01-8
0.226
EDJ-MED-3c65e9ce-1
0.226
BAR-COM-5694a99d-1
0.226
MAK-UNK-10572812-7
0.225
NIR-THE-d08c3b48-1
0.225
VLA-UCB-05e51b3f-1
0.225
NAU-LAT-a5c7d7cb-1
0.225
BEN-DND-6de5dfa0-11
0.225
ALP-POS-6747fa38-1
0.225
MAR-TRE-9c797165-7
0.225
DAR-DIA-fb20be43-9
0.224
MAK-UNK-b1d4dcd7-9
0.224
MAR-TRE-c8530538-71
0.224
WAR-XCH-bdd24732-16
0.224
JAN-GHE-fd8d85a5-2
0.222
MAK-UNK-009ebe36-8
0.222
SAD-SAT-135344c3-3
0.222
WAR-XCH-b0339bbe-19
0.221
MIC-UNK-df342a3f-1
0.221
MAR-TRE-b77b7921-96
0.221
BEN-VAN-c986b20b-13
0.220
AVI-UNI-70b60925-2
0.220
JAN-GHE-fd8d85a5-1
0.220
WAR-XCH-79d12f6e-8
0.220
AUS-ARG-7cfdce8f-2
0.219
DAR-DIA-fb20be43-7
0.219
MAK-UNK-f0bfc2e0-2
0.219
JAV-UNI-4503e1e6-1
0.218
MAR-TRE-f6f5f473-6
0.218
JAN-GHE-fd8d85a5-6
0.217
ALE-MCD-4ac17b19-1
0.217
HEI-REL-0c990a45-4
0.217
MAR-TRE-c8530538-10
0.217
JUL-TUD-06b2044f-154
0.217
MAR-TRE-2fd8122f-25
0.217
BEN-DND-6de5dfa0-22
0.217
BEN-DND-6de5dfa0-26
0.217
BEN-DND-6de5dfa0-24
0.217
MAR-TRE-2fd8122f-64
0.217
WIL-UNI-5578df48-30
0.217
NAU-LAT-64f4b287-10
0.216
NIM-UNI-36e12f95-1
0.216
MAK-UNK-af83ef51-15
0.216
JOR-UNI-61e7b1d5-14
0.216
MAK-UNK-849bee6c-1
0.216
TAM-UNI-d1c3dd9f-13
0.216
BEN-DND-6de5dfa0-18
0.215
JAN-GHE-fd8d85a5-8
0.214
SAD-SAT-24589cd1-9
0.214
UNK-UNK-2ede4078-11
0.214
PAT-UNK-b2d83456-4
0.214
THO-SYG-f9b2970d-2
0.214
MAK-UNK-7c9d1431-20
0.214
NIM-UNI-36e12f95-2
0.213
NIM-UNI-36e12f95-4
0.213
SAD-SAT-689b7d5a-7
0.213
AAR-POS-d2a4d1df-40
0.213
MED-COV-4280ac29-31
0.213
AAR-POS-d2a4d1df-41
0.213
TAT-ENA-80bfd3e5-20
0.213