Molecular Properties | |
SMILES: | COc1ccc(-c2nc3ccc(NC(=O)C4CCN(Cc5ccc(Br)cc5)CC4)cc3o2)cc1 |
MW: | 520.427 |
Fraction sp3: | 0.26 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 67.6 |
cLogP: | 6.1166 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Filter9_metal
aryl bromide
DRA-CSI-0a78d9ba-1
0.811
DRA-CSI-0a78d9ba-3
0.796
DRA-CSI-0a78d9ba-4
0.796
DRA-CSI-3ab97369-2
0.677
DRA-CSI-0a78d9ba-6
0.647
DRA-CSI-7ec17797-1
0.636
DRA-CSI-7ec17797-12
0.631
DRA-CSI-0a78d9ba-9
0.625
DRA-CSI-7ec17797-19
0.624
DRA-CSI-3ab97369-1
0.624
DRA-CSI-0a78d9ba-5
0.615
DRA-CSI-0a78d9ba-7
0.607
DRA-CSI-7ec17797-2
0.606
DRA-CSI-0a78d9ba-8
0.602
DRA-CSI-3ab97369-3
0.600
DRA-CSI-7ec17797-13
0.600
DRA-CSI-7ec17797-14
0.600
DRA-CSI-0a78d9ba-10
0.555
DRA-CSI-0a78d9ba-11
0.522
DRA-CSI-0a78d9ba-12
0.518
DRA-CSI-3ab97369-4
0.487
DRA-CSI-3ab97369-6
0.487
DRA-CSI-7ec17797-17
0.482
DRA-CSI-3ab97369-7
0.478
DRA-CSI-7ec17797-15
0.475
DRA-CSI-0a78d9ba-16
0.473
DRA-CSI-7ec17797-16
0.471
DRA-CSI-3ab97369-5
0.462
DRA-CSI-3ab97369-8
0.384
DRA-CSI-3ab97369-9
0.377
DRA-CSI-3ab97369-11
0.368
DRA-CSI-0a78d9ba-15
0.366
DRA-CSI-3ab97369-10
0.363
DRA-CSI-3ab97369-12
0.353
DRA-CSI-0a78d9ba-13
0.348
SAD-SAT-7d5528d9-7
0.307
MAR-TRE-fd17a9b8-36
0.286
JAG-SYN-9c2cd0bd-9
0.283
LON-WEI-120e5cf5-19
0.280
AAR-POS-5507155c-2
0.278
LON-WEI-120e5cf5-1
0.278
AAR-POS-f650c5f2-4
0.278
LON-WEI-120e5cf5-17
0.278
MAR-TRE-2fd8122f-64
0.276
LON-WEI-120e5cf5-3
0.274
MAR-TRE-a9136c7b-89
0.273
MAR-TRE-b77b7921-57
0.272
LON-WEI-120e5cf5-2
0.267
BEN-DND-031a96cc-5
0.264
MAR-TRE-7f7bb9f0-26
0.261
GIA-UNK-5ec6c2b8-3
0.260
LON-WEI-120e5cf5-6
0.258
JAG-SYN-9c2cd0bd-14
0.257
MAR-TRE-fd17a9b8-44
0.256
GIA-UNK-595fac82-5
0.255
BEN-DND-031a96cc-1
0.254
LON-WEI-120e5cf5-20
0.252
BEN-DND-031a96cc-4
0.252
MAK-UNK-acefcb18-20
0.252
MED-COV-4280ac29-17
0.252
KEI-TRE-d5e2018a-38
0.250
MAK-UNK-c97f7c8f-2
0.250
MAR-TRE-a3327163-95
0.248
LON-WEI-120e5cf5-10
0.248
DAN-MCD-0c04f563-1
0.246
MAK-UNK-acefcb18-27
0.245
NIM-UNI-13494739-11
0.243
LON-WEI-120e5cf5-15
0.243
MAR-TRE-6a44bbf2-86
0.243
UNK-UNK-2ede4078-100
0.242
LON-WEI-120e5cf5-9
0.242
MAK-UNK-acefcb18-29
0.241
DRA-CSI-47e38074-6
0.241
MAR-TRE-a3327163-100
0.241
LON-WEI-120e5cf5-11
0.241
MAK-UNK-a7992eb3-1
0.240
MAK-UNK-212f693e-15
0.240
MAT-POS-b5746674-133
0.240
DRA-CSI-0a78d9ba-14
0.238
WIL-UNI-2a57d06c-40
0.236
MAR-TRE-c8530538-62
0.235
MAR-TRE-3e4e6814-54
0.235
MAT-POS-2492181e-9
0.234
SAD-SAT-7d5528d9-6
0.233
CHO-MSK-6e55470f-22
0.233
GAB-REV-70cc3ca5-15
0.233
BEN-DND-031a96cc-3
0.233
MAR-TRE-7f7bb9f0-21
0.233
KEI-TRE-d5e2018a-73
0.231
MAR-TRE-a3327163-71
0.231
MAR-TRE-2fd8122f-42
0.231
BEN-DND-031a96cc-2
0.231
SER-UNI-400afb01-2
0.230
JOH-UNI-114aab7b-1
0.230
MAR-TRE-2fd8122f-48
0.230
KEI-TRE-d5e2018a-49
0.230
EDJ-MED-378a25ea-18
0.229
JAG-UCB-52b62a6f-8
0.228
MAR-TRE-fd17a9b8-97
0.228
LON-WEI-120e5cf5-4
0.228