Molecular Properties | |
SMILES: | CNC(=O)c1cc2cccc(CN3CC4CC3CN4C(=O)CCl)c2nc1N1CCOCC1 |
MW: | 457.19 |
Fraction sp3: | 0.52 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 78.01 |
cLogP: | 1.45 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
BOG-INS-bdba9cfb-1
0.633
BOG-INS-0b2b845a-1
0.486
MAK-UNK-3f402c2b-14
0.454
MAK-UNK-10799360-22
0.447
MAK-UNK-bae89c02-3
0.433
MAK-UNK-10799360-12
0.429
MAK-UNK-ec98eaf6-25
0.426
MAK-UNK-10799360-10
0.425
MAK-UNK-10799360-23
0.417
MAK-UNK-3f402c2b-26
0.411
MAK-UNK-df1a028e-1
0.408
MAK-UNK-ec98eaf6-24
0.406
MAK-UNK-10799360-19
0.405
DAR-DIA-3e9bbd81-1
0.404
MAK-UNK-ec98eaf6-17
0.400
MAK-UNK-10799360-4
0.393
MAK-UNK-ec98eaf6-21
0.389
MAK-UNK-3f402c2b-3
0.388
MAK-UNK-5d2caa6f-7
0.383
DAN-LON-a5fc619e-8
0.378
MAK-UNK-ec98eaf6-23
0.376
DAR-DIA-3e9bbd81-2
0.376
MAK-UNK-bae89c02-4
0.375
MAK-UNK-10799360-6
0.375
MAK-UNK-10799360-20
0.375
MAK-UNK-ec98eaf6-47
0.374
MAK-UNK-5d2caa6f-23
0.373
MAK-UNK-10799360-17
0.373
MAK-UNK-ec98eaf6-22
0.370
MAK-UNK-5d2caa6f-6
0.370
DAR-DIA-3e9bbd81-4
0.369
MAK-UNK-3f402c2b-22
0.357
MAK-UNK-ec98eaf6-7
0.357
DAR-DIA-3e9bbd81-10
0.357
MAK-UNK-10799360-21
0.357
DAR-DIA-3e9bbd81-8
0.357
MAK-UNK-90d0606b-7
0.355
MAK-UNK-ec98eaf6-11
0.355
MAK-UNK-ec98eaf6-19
0.355
MAK-UNK-3f402c2b-16
0.354
MAK-UNK-10799360-8
0.352
MAK-UNK-ec98eaf6-14
0.352
MAK-UNK-ec98eaf6-2
0.351
MAK-UNK-df1a028e-8
0.351
MAK-UNK-3f402c2b-21
0.350
MAK-UNK-90d0606b-1
0.349
MAK-UNK-ec98eaf6-16
0.345
DAR-DIA-3e9bbd81-9
0.345
MAK-UNK-ec98eaf6-28
0.342
MAK-UNK-ec98eaf6-10
0.339
MAK-UNK-df1a028e-6
0.337
MAK-UNK-ec98eaf6-57
0.336
BOG-INS-01af3fef-1
0.333
MAK-UNK-ec98eaf6-20
0.330
SAD-SAT-581007d4-9
0.330
MAK-UNK-10799360-32
0.328
MAK-UNK-10799360-16
0.325
MAK-UNK-10799360-29
0.317
SAD-SAT-581007d4-10
0.315
MAK-UNK-5d2caa6f-5
0.297
MAK-UNK-ec98eaf6-3
0.297
MAK-UNK-3f402c2b-27
0.294
MAK-UNK-10799360-35
0.294
MAK-UNK-3f402c2b-25
0.284
MAK-UNK-10799360-30
0.282
MAK-UNK-10799360-36
0.278
MAK-UNK-3f402c2b-2
0.275
MAK-UNK-df1a028e-4
0.275
MAK-UNK-3f402c2b-29
0.275
MAK-UNK-3f402c2b-7
0.275
MAK-UNK-3e0761f8-4
0.274
MAK-UNK-3e0761f8-9
0.272
MAK-UNK-10799360-26
0.271
MAK-UNK-3f402c2b-1
0.271
MAK-UNK-df1a028e-9
0.269
PEI-IMP-e4a008a2-1
0.267
MAK-UNK-ec98eaf6-13
0.266
MAK-UNK-90d0606b-3
0.265
MAK-UNK-ec98eaf6-1
0.265
MAK-UNK-3f402c2b-5
0.264
MAK-UNK-ec98eaf6-4
0.264
MAK-UNK-3f402c2b-4
0.262
BOG-INS-15b226b5-1
0.262
MAK-UNK-ec98eaf6-53
0.262
MAK-UNK-3f402c2b-9
0.262
MAK-UNK-3f402c2b-17
0.261
DAR-DIA-3e9bbd81-3
0.261
MAK-UNK-ec98eaf6-9
0.261
MAK-UNK-ec98eaf6-15
0.260
MAK-UNK-3f402c2b-24
0.259
MAK-UNK-ec98eaf6-51
0.256
MAK-UNK-3f402c2b-15
0.255
MAK-UNK-3f402c2b-11
0.255
MAK-UNK-10799360-5
0.254
MAK-UNK-ec98eaf6-50
0.254
MIH-UNI-e573136b-3
0.254
MAK-UNK-3f402c2b-12
0.252
AHN-SAT-721e3e40-1
0.252
MAK-UNK-10799360-14
0.252
SAD-SAT-3a925b8b-8
0.250