Molecular Properties | |
SMILES: | COc1ccc(-c2nc3ccc(NC(=O)C4CCN(C(=O)c5ccc(C(F)(F)F)cc5)CC4)cc3o2)cc1 |
MW: | 523.511 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 84.67 |
cLogP: | 6.0131 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
DRA-CSI-7ec17797-1
0.793
DRA-CSI-7ec17797-13
0.781
DRA-CSI-7ec17797-12
0.781
DRA-CSI-7ec17797-14
0.781
DRA-CSI-7ec17797-15
0.735
DRA-CSI-0a78d9ba-4
0.735
DRA-CSI-3ab97369-2
0.656
DRA-CSI-0a78d9ba-1
0.612
DRA-CSI-7ec17797-19
0.606
DRA-CSI-3ab97369-1
0.606
DRA-CSI-0a78d9ba-2
0.606
DRA-CSI-0a78d9ba-3
0.589
DRA-CSI-3ab97369-3
0.583
DRA-CSI-7ec17797-16
0.575
DRA-CSI-7ec17797-17
0.470
DRA-CSI-0a78d9ba-10
0.450
DRA-CSI-0a78d9ba-6
0.449
DRA-CSI-0a78d9ba-9
0.445
DRA-CSI-3ab97369-9
0.441
DRA-CSI-3ab97369-6
0.438
DRA-CSI-0a78d9ba-5
0.437
DRA-CSI-0a78d9ba-11
0.435
DRA-CSI-0a78d9ba-12
0.431
DRA-CSI-3ab97369-7
0.430
DRA-CSI-7ec17797-6
0.429
DRA-CSI-3ab97369-4
0.427
DRA-CSI-0a78d9ba-7
0.423
DRA-CSI-0a78d9ba-8
0.419
DRA-CSI-3ab97369-5
0.416
DRA-CSI-3ab97369-8
0.411
DRA-CSI-3ab97369-11
0.371
DRA-CSI-3ab97369-10
0.331
DRA-CSI-7ec17797-7
0.328
DRA-CSI-3ab97369-12
0.323
LON-WEI-120e5cf5-19
0.308
DRA-CSI-47e38074-14
0.308
AAR-POS-fca48359-4
0.296
DRA-CSI-7ec17797-10
0.295
DRA-CSI-47e38074-13
0.292
RAL-MED-9a5eb9cb-18
0.283
AAR-POS-f650c5f2-4
0.282
LON-WEI-120e5cf5-17
0.282
LON-WEI-120e5cf5-1
0.282
AAR-POS-5507155c-2
0.282
GIA-UNK-595fac82-3
0.282
RAL-MED-9a5eb9cb-16
0.278
DRA-CSI-7ec17797-3
0.276
LON-WEI-120e5cf5-10
0.276
DRA-CSI-7ec17797-9
0.276
RAL-MED-9a5eb9cb-17
0.273
LON-WEI-120e5cf5-2
0.271
GIA-UNK-995df016-16
0.269
DRA-CSI-13f611db-1
0.269
DRA-CSI-3ab97369-13
0.269
LON-WEI-120e5cf5-3
0.266
RAL-MED-9a5eb9cb-1
0.264
DRA-CSI-0a78d9ba-16
0.263
LON-WEI-b8d98729-27
0.262
GIA-UNK-995df016-10
0.260
RAL-MED-9a5eb9cb-4
0.258
RAL-MED-9a5eb9cb-5
0.258
DRA-CSI-0a78d9ba-15
0.257
LON-WEI-120e5cf5-20
0.257
LYN-UNI-b265e4fd-6
0.257
MAR-TRE-a3327163-71
0.256
GIA-UNK-5ec6c2b8-1
0.255
RED-RED-10c9212c-1
0.255
LYN-UNI-c2dd631d-7
0.255
LYN-UNI-7bb260d6-1
0.255
RAL-MED-9a5eb9cb-13
0.254
RAL-MED-9a5eb9cb-3
0.252
LON-WEI-120e5cf5-6
0.252
LON-WEI-1908424e-11
0.250
SAD-SAT-29425be4-4
0.250
BEN-DND-031a96cc-3
0.248
RAL-MED-9a5eb9cb-2
0.246
LON-WEI-120e5cf5-9
0.246
BEN-DND-031a96cc-2
0.246
DRA-CSI-47e38074-6
0.246
LON-WEI-120e5cf5-11
0.245
MAK-UNK-c97f7c8f-2
0.243
JAG-SYN-9c2cd0bd-7
0.243
MAR-TRE-a3327163-95
0.241
DAN-MCD-0c04f563-1
0.240
ANT-OPE-7824651a-1
0.239
JAG-SYN-9c2cd0bd-4
0.238
BEN-DND-031a96cc-1
0.238
ASH-SAT-43770c7d-7
0.237
GIA-UNK-995df016-15
0.236
UNK-UNK-2ede4078-100
0.236
GIA-UNK-595fac82-2
0.236
LON-WEI-120e5cf5-15
0.236
MAR-TRE-6a44bbf2-86
0.236
JAG-SYN-9c2cd0bd-3
0.236
MAR-TRE-a3327163-100
0.234
BRU-UNI-248b30bc-40
0.234
LON-WEI-120e5cf5-7
0.234
KEI-TRE-d5e2018a-38
0.234
LON-WEI-120e5cf5-4
0.233
SAD-SAT-f0a2747f-2
0.233