Molecular Properties | |
SMILES: | N#Cc1cc(CN2CC3CC2CN3C(=O)CCl)c2ccccc2c1 |
MW: | 339.11 |
Fraction sp3: | 0.37 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 47.34 |
cLogP: | 2.74 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
DAR-DIA-3e9bbd81-1
0.684
MAK-UNK-ec98eaf6-24
0.658
DAR-DIA-3e9bbd81-9
0.643
MAK-UNK-3f402c2b-14
0.618
DAR-DIA-3e9bbd81-8
0.586
MAK-UNK-ec98eaf6-21
0.571
MAK-UNK-10799360-22
0.560
DAR-DIA-fb20be43-6
0.537
MAK-UNK-ec98eaf6-22
0.529
DAR-DIA-3e9bbd81-6
0.489
MAK-UNK-bae89c02-4
0.488
MAK-UNK-5d2caa6f-6
0.477
MAK-UNK-df1a028e-1
0.463
MAK-UNK-ec98eaf6-16
0.461
MAK-UNK-ec98eaf6-25
0.460
MAK-UNK-90d0606b-7
0.460
MAK-UNK-3f402c2b-3
0.457
DAR-DIA-3e9bbd81-4
0.457
DAR-DIA-3e9bbd81-10
0.457
MAK-UNK-bae89c02-3
0.456
MAK-UNK-3f402c2b-26
0.450
DAN-LON-a5fc619e-8
0.444
MAK-UNK-ec98eaf6-10
0.435
MAK-UNK-ec98eaf6-23
0.435
MAK-UNK-df1a028e-8
0.430
MAK-UNK-ec98eaf6-19
0.424
MAK-UNK-3f402c2b-22
0.420
MAK-UNK-ec98eaf6-17
0.418
MAK-UNK-3f402c2b-16
0.415
MAK-UNK-5d2caa6f-7
0.413
MAK-UNK-10799360-21
0.411
MAK-UNK-3f402c2b-21
0.410
MAK-UNK-df1a028e-6
0.410
MAK-UNK-ec98eaf6-11
0.409
MAK-UNK-10799360-4
0.408
MAK-UNK-10799360-6
0.402
SAD-SAT-581007d4-9
0.400
MAK-UNK-5d2caa6f-23
0.398
MAK-UNK-ec98eaf6-7
0.396
MAK-UNK-ec98eaf6-2
0.389
MAK-UNK-10799360-20
0.388
MAK-UNK-ec98eaf6-47
0.386
MAK-UNK-10799360-12
0.379
SAD-SAT-581007d4-10
0.378
MAK-UNK-ec98eaf6-14
0.378
MAK-UNK-3e0761f8-10
0.376
DAR-DIA-3e9bbd81-7
0.375
MAK-UNK-10799360-10
0.375
DAR-DIA-fb20be43-2
0.375
MAK-UNK-10799360-8
0.374
MAK-UNK-10799360-35
0.374
MAK-UNK-90d0606b-1
0.372
MAK-UNK-10799360-17
0.371
MAK-UNK-10799360-23
0.369
MAK-UNK-10799360-19
0.366
MAK-UNK-3f402c2b-13
0.363
DAR-DIA-3e9bbd81-5
0.360
MAK-UNK-10799360-29
0.359
DAR-DIA-3e9bbd81-13
0.358
MAK-UNK-10799360-16
0.357
MAK-UNK-ec98eaf6-57
0.357
MAK-UNK-3f402c2b-6
0.356
MAK-UNK-ec98eaf6-51
0.350
MAK-UNK-ec98eaf6-28
0.349
MAK-UNK-ec98eaf6-15
0.349
MAK-UNK-10799360-32
0.345
PAU-UNI-19862c28-1
0.341
DAR-DIA-fb20be43-8
0.341
MAK-UNK-ec98eaf6-20
0.337
MAK-UNK-ec98eaf6-53
0.330
DAR-DIA-fb20be43-7
0.330
MAK-UNK-3f402c2b-25
0.329
MAK-UNK-3f402c2b-27
0.326
MAK-UNK-df1a028e-9
0.326
MAK-UNK-3f402c2b-29
0.324
PEI-IMP-e4a008a2-1
0.322
MAK-UNK-90d0606b-4
0.320
MAK-UNK-3f402c2b-11
0.319
MAK-UNK-5d2caa6f-3
0.319
MAK-UNK-ec98eaf6-52
0.318
MAK-UNK-3f402c2b-7
0.318
MAK-UNK-3f402c2b-2
0.315
MAK-UNK-ec98eaf6-4
0.315
MAK-UNK-df1a028e-4
0.315
MAK-UNK-5d2caa6f-5
0.312
MAK-UNK-3f402c2b-1
0.311
MAK-UNK-3e0761f8-9
0.309
MAK-UNK-ec98eaf6-37
0.307
MAK-UNK-10799360-30
0.306
MAK-UNK-5d2caa6f-4
0.305
MAK-UNK-10799360-36
0.304
MAK-UNK-ec98eaf6-13
0.304
MAK-UNK-3f402c2b-4
0.302
MAK-UNK-5d2caa6f-12
0.301
MAK-UNK-3f402c2b-9
0.300
MED-COV-4280ac29-31
0.300
AAR-POS-d2a4d1df-40
0.300
MAK-UNK-ec98eaf6-3
0.299
AHN-SAT-721e3e40-1
0.299
MAK-UNK-3f402c2b-17
0.298