Molecular Properties | |
SMILES: | O=C(Nc1c[nH]c2ccc(Br)cc12)C1CC2CC1CN2C(=O)CCl |
MW: | 409.02 |
Fraction sp3: | 0.41 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 65.2 |
cLogP: | 3.34 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Filter9_metal
aryl bromide
MED-COV-4280ac29-15
LON-WEI-120e5cf5-18
0.598
MAK-UNK-3f402c2b-19
0.551
MAK-UNK-5d2caa6f-21
0.550
MAK-UNK-5d2caa6f-13
0.506
MAK-UNK-5d2caa6f-1
0.494
MAK-UNK-5d2caa6f-20
0.487
MAK-UNK-5d2caa6f-16
0.481
MAK-UNK-3e0761f8-1
0.470
MAK-UNK-3e0761f8-3
0.468
MAK-UNK-5d2caa6f-17
0.462
MAK-UNK-90d0606b-8
0.455
MAK-UNK-90d0606b-9
0.455
MAK-UNK-3e0761f8-5
0.455
MAK-UNK-90d0606b-2
0.453
MAK-UNK-5d2caa6f-19
0.442
MAK-UNK-90d0606b-10
0.433
MAK-UNK-5d2caa6f-14
0.433
MAK-UNK-ec98eaf6-5
0.427
MAK-UNK-5d2caa6f-22
0.411
MAK-UNK-5d2caa6f-18
0.393
MAK-UNK-3e0761f8-8
0.368
MAK-UNK-ec98eaf6-32
0.367
MAK-UNK-3f402c2b-28
0.349
MAK-UNK-3f402c2b-20
0.345
MAK-UNK-ec98eaf6-36
0.343
MAK-UNK-3f402c2b-18
0.341
MAK-UNK-df1a028e-5
0.341
MAK-UNK-ec98eaf6-43
0.333
MAK-UNK-ec98eaf6-34
0.312
MAK-UNK-3f402c2b-21
0.311
MAK-UNK-10799360-25
0.298
MAK-UNK-ec98eaf6-35
0.291
MAK-UNK-10799360-24
0.290
MAK-UNK-ec98eaf6-38
0.287
MAK-UNK-ec98eaf6-33
0.287
MAK-UNK-176ca439-7
0.287
MAR-TRE-92684b97-67
0.286
MAK-UNK-df1a028e-6
0.283
MAK-UNK-3f402c2b-25
0.281
MAK-UNK-3e0761f8-6
0.276
DRR-IMP-dff87f5e-7
0.276
MAK-UNK-df1a028e-1
0.274
MAK-UNK-3e0761f8-7
0.272
MAK-UNK-ec98eaf6-48
0.272
MAK-UNK-5d2caa6f-11
0.270
MAK-UNK-3f402c2b-7
0.270
MAR-TRE-4f781e27-26
0.267
MAK-UNK-ec98eaf6-37
0.267
MAK-UNK-10799360-34
0.267
SAD-SAT-581007d4-9
0.263
MAR-TRE-4f39ef4a-51
0.262
MAK-UNK-90d0606b-1
0.262
MAK-UNK-ec98eaf6-17
0.262
MAK-UNK-3f402c2b-22
0.261
MAK-UNK-ec98eaf6-13
0.260
MAK-UNK-5d2caa6f-3
0.260
MAK-UNK-90d0606b-6
0.259
NIM-UNI-05f93fcc-1
0.258
MAK-UNK-3f402c2b-2
0.258
MAK-UNK-3f402c2b-4
0.256
DAN-LON-a5fc619e-8
0.255
LON-WEI-120e5cf5-16
0.255
LON-WEI-120e5cf5-14
0.255
MAK-UNK-bae89c02-2
0.255
MAK-UNK-3f402c2b-29
0.253
MAK-UNK-df1a028e-8
0.253
MAK-UNK-3f402c2b-3
0.253
MAK-UNK-3f402c2b-24
0.253
JOH-UNI-27ac80fd-29
0.253
MAK-UNK-10799360-11
0.252
LON-WEI-120e5cf5-7
0.250
MAK-UNK-3f402c2b-27
0.250
MAK-UNK-df1a028e-7
0.250
MAK-UNK-df1a028e-9
0.250
MAK-UNK-176ca439-5
0.248
MAK-UNK-72b7ba6b-1
0.248
JAN-GHE-c863d918-1
0.248
MAK-UNK-ec98eaf6-16
0.248
MAK-UNK-10799360-36
0.247
SWA-SYN-6423ea73-2
0.247
SWA-SYN-d2e6fa14-2
0.247
MAR-TRE-6a44bbf2-15
0.247
AAR-POS-0daf6b7e-6
0.247
PEI-IMP-e4a008a2-1
0.247
MAK-UNK-3f402c2b-10
0.247
MAK-UNK-3f402c2b-15
0.247
MAR-TRE-6a44bbf2-58
0.247
KAY-MCD-d0fe5261-1
0.247
JOH-UNI-27ac80fd-23
0.247
DRR-IMP-dff87f5e-1
0.247
AAR-POS-0daf6b7e-12
0.247
MAK-UNK-10799360-9
0.246
MAK-UNK-3e0761f8-4
0.245
MAK-UNK-bae89c02-3
0.245
AHN-SAT-721e3e40-1
0.245
MAK-UNK-ec98eaf6-3
0.245
JIN-POS-6dc588a4-5
0.245
JOH-UNI-27ac80fd-35
0.245
MAK-UNK-3f402c2b-12
0.245
MAK-UNK-ec98eaf6-4
0.245