Molecular Properties | |
SMILES: | O=C(Nc1cccc(-c2cc[nH]n2)c1)C1CC2CC1CN2C(=O)CCl |
MW: | 358.12 |
Fraction sp3: | 0.39 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 78.09 |
cLogP: | 2.49 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
MAK-UNK-90d0606b-8
0.598
LON-WEI-120e5cf5-2
0.588
MAK-UNK-5d2caa6f-1
0.568
MAK-UNK-5d2caa6f-18
0.567
MAK-UNK-5d2caa6f-20
0.564
MAK-UNK-5d2caa6f-16
0.557
MAK-UNK-3e0761f8-1
0.506
MAK-UNK-90d0606b-2
0.506
MAK-UNK-90d0606b-10
0.500
MAK-UNK-5d2caa6f-14
0.495
MAK-UNK-5d2caa6f-21
0.477
MAK-UNK-3f402c2b-19
0.476
MAK-UNK-3e0761f8-5
0.472
MAK-UNK-90d0606b-9
0.472
MAK-UNK-5d2caa6f-17
0.462
MAK-UNK-3e0761f8-3
0.454
MAK-UNK-5d2caa6f-15
0.442
MAK-UNK-5d2caa6f-13
0.442
MAK-UNK-5d2caa6f-22
0.427
MAK-UNK-ec98eaf6-5
0.389
BAR-COM-4e090d3a-68
0.379
MAK-UNK-3e0761f8-8
0.371
MAK-UNK-ec98eaf6-32
0.355
MAK-UNK-10799360-24
0.343
MAK-UNK-10799360-25
0.340
MAK-UNK-3f402c2b-28
0.337
MAK-UNK-3f402c2b-20
0.333
LON-WEI-120e5cf5-6
0.321
MAK-UNK-3f402c2b-18
0.315
MAK-UNK-ec98eaf6-43
0.309
MAK-UNK-ec98eaf6-36
0.308
MAK-UNK-10799360-32
0.299
MAK-UNK-3e0761f8-7
0.298
MAK-UNK-ec98eaf6-35
0.295
MAK-UNK-ec98eaf6-38
0.292
MAK-UNK-90d0606b-1
0.291
LON-WEI-120e5cf5-19
0.289
MAK-UNK-df1a028e-5
0.289
MAK-UNK-5d2caa6f-11
0.286
LON-WEI-120e5cf5-11
0.284
MAK-UNK-10799360-34
0.283
TAT-ENA-80bfd3e5-45
0.280
MAT-POS-fa06b69f-7
0.280
MAK-UNK-3e0761f8-6
0.280
MAK-UNK-ec98eaf6-13
0.278
MAK-UNK-ec98eaf6-48
0.276
MAK-UNK-3f402c2b-2
0.276
MAK-UNK-ec98eaf6-4
0.276
MAK-UNK-3f402c2b-7
0.275
DAN-LON-a5fc619e-8
0.274
MAK-UNK-3e0761f8-4
0.274
MAK-UNK-ec98eaf6-37
0.271
MAK-UNK-3f402c2b-3
0.271
MAK-UNK-3f402c2b-27
0.269
MAK-UNK-ec98eaf6-33
0.268
MAK-UNK-3f402c2b-22
0.266
MAR-TRE-6a44bbf2-3
0.265
MAK-UNK-5d2caa6f-3
0.265
MAK-UNK-10799360-36
0.265
MAK-UNK-90d0606b-3
0.265
MAK-UNK-5d2caa6f-6
0.264
DAR-DIA-3e9bbd81-14
0.263
AHN-SAT-721e3e40-1
0.262
MAK-UNK-ec98eaf6-3
0.262
MAR-TRE-6a44bbf2-86
0.261
LON-WEI-120e5cf5-15
0.261
MAK-UNK-3f402c2b-9
0.260
MAK-UNK-ec98eaf6-6
0.260
MAK-UNK-ec98eaf6-9
0.260
MAK-UNK-ec98eaf6-21
0.259
MAK-UNK-10799360-7
0.259
MAK-UNK-bae89c02-2
0.259
MAK-UNK-ec98eaf6-34
0.259
LON-WEI-120e5cf5-20
0.258
MAK-UNK-3f402c2b-25
0.258
MAK-UNK-3f402c2b-1
0.258
MAK-UNK-3f402c2b-6
0.258
MAK-UNK-3f402c2b-14
0.257
THO-SYG-f9b2970d-2
0.257
DAR-DIA-3e9bbd81-1
0.257
DAV-CRI-1c77f7a9-6
0.257
MAK-UNK-10799360-19
0.257
MED-COV-4280ac29-1
0.256
ASH-SAT-43770c7d-7
0.256
MAK-UNK-e4a48a85-8
0.256
MAK-UNK-df1a028e-9
0.255
MAK-UNK-ec98eaf6-14
0.255
MAK-UNK-ec98eaf6-17
0.255
LON-WEI-120e5cf5-7
0.255
PEI-IMP-e4a008a2-1
0.253
MAK-UNK-3f402c2b-10
0.253
MAK-UNK-3f402c2b-15
0.253
MAK-UNK-df1a028e-1
0.253
MED-COV-4280ac29-10
0.253
THO-SYG-f9b2970d-1
0.252
MAK-UNK-ec98eaf6-1
0.252
DAV-CRI-1c77f7a9-7
0.252
MAK-UNK-90d0606b-6
0.252
MAK-UNK-10799360-29
0.252
MAK-UNK-ec98eaf6-24
0.250