Molecular Properties | |
SMILES: | O=C(NCc1ccc(Cl)cc1CN1CC2CC1CN2C(=O)CCl)N1CCOCC1 |
MW: | 440.14 |
Fraction sp3: | 0.6 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 65.12 |
cLogP: | 1.91 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
MAK-UNK-ec98eaf6-25
0.733
MAK-UNK-10799360-8
0.688
MAK-UNK-5d2caa6f-23
0.674
MAK-UNK-10799360-10
0.663
STU-CHA-6cae54d3-1
0.596
MAK-UNK-10799360-19
0.591
MAK-UNK-ec98eaf6-17
0.562
MAK-UNK-10799360-23
0.446
MAK-UNK-df1a028e-1
0.444
DAR-DIA-3e9bbd81-1
0.438
DAR-DIA-fb20be43-16
0.431
TAM-UNI-d1c3dd9f-1
0.431
MAK-UNK-3e0761f8-10
0.429
MAK-UNK-5d2caa6f-6
0.429
DAN-LON-a5fc619e-8
0.427
STU-CHA-7b3b91d5-1
0.419
MAK-UNK-3f402c2b-26
0.416
MAK-UNK-df1a028e-8
0.414
DAR-DIA-3e9bbd81-10
0.412
MAK-UNK-ec98eaf6-24
0.410
MAK-UNK-3f402c2b-14
0.400
MAK-UNK-3f402c2b-16
0.400
MAK-UNK-ec98eaf6-22
0.400
DAR-DIA-3e9bbd81-4
0.398
MAK-UNK-10799360-21
0.398
MAK-UNK-10799360-22
0.396
MAK-UNK-ec98eaf6-14
0.396
MAK-UNK-df1a028e-6
0.396
MAK-UNK-ec98eaf6-21
0.392
MAK-UNK-ec98eaf6-23
0.392
MAK-UNK-bae89c02-4
0.392
WIL-LEE-1f71e281-1
0.392
MAK-UNK-3f402c2b-3
0.391
MAK-UNK-10799360-20
0.390
STU-CHA-5350f95a-1
0.387
SAD-SAT-f25ee457-4
0.385
MAK-UNK-bae89c02-3
0.382
MAK-UNK-3f402c2b-21
0.380
JAN-GHE-fd8d85a5-12
0.379
DAR-DIA-3e9bbd81-2
0.379
MAK-UNK-10799360-17
0.375
MAK-UNK-ec98eaf6-57
0.375
MAK-UNK-3f402c2b-22
0.374
MAK-UNK-5d2caa6f-7
0.373
SAD-SAT-581007d4-9
0.372
STU-CHA-6d5cfe2b-1
0.371
SAD-SAT-581007d4-10
0.367
TAM-UNI-d1c3dd9f-12
0.366
SCO-VAN-260d9628-4
0.365
MAK-UNK-ec98eaf6-47
0.364
MAK-UNK-ec98eaf6-16
0.359
DAR-DIA-3e9bbd81-9
0.358
DAR-DIA-3e9bbd81-8
0.358
TAM-UNI-d1c3dd9f-7
0.357
TAM-UNI-d1c3dd9f-21
0.356
MAK-UNK-ec98eaf6-28
0.354
MAK-UNK-10799360-6
0.352
MAK-UNK-10799360-16
0.349
DAR-DIA-fb20be43-18
0.349
SAD-SAT-f25ee457-2
0.346
MAK-UNK-10799360-4
0.345
MAK-UNK-ec98eaf6-19
0.343
MAK-UNK-ec98eaf6-11
0.343
SAD-SAT-f25ee457-9
0.343
MAK-UNK-ec98eaf6-10
0.340
MAK-UNK-ec98eaf6-2
0.340
MAK-UNK-90d0606b-1
0.337
DAR-DIA-fb20be43-17
0.336
MAK-UNK-ec98eaf6-7
0.333
PAU-WEI-f734c343-2
0.333
STU-CHA-128b80be-2
0.330
MAK-UNK-ec98eaf6-20
0.330
PAT-GYR-359dbb24-2
0.330
MAK-UNK-10799360-36
0.327
DAR-DIA-caba39e3-13
0.325
PET-SGC-276eba5a-1
0.325
DAR-DIA-caba39e3-12
0.322
MAK-UNK-ec98eaf6-3
0.320
AHN-SAT-721e3e40-1
0.320
STU-CHA-128b80be-1
0.319
MAK-UNK-ec98eaf6-6
0.317
MAK-UNK-3f402c2b-15
0.316
MAK-UNK-10799360-29
0.316
HYO-UNK-1dbfcf16-1
0.315
PAT-GYR-359dbb24-3
0.313
SAD-SAT-f25ee457-3
0.313
PET-SGC-cb83a00c-1
0.309
MAK-UNK-3f402c2b-25
0.309
PAT-GYR-359dbb24-1
0.309
AAR-POS-d2a4d1df-21
0.309
MAK-UNK-ec98eaf6-1
0.308
MAK-UNK-5d2caa6f-5
0.308
MED-COV-4280ac29-37
0.307
MAK-UNK-3f402c2b-27
0.305
DAR-DIA-3e9bbd81-3
0.305
MAK-UNK-10799360-30
0.302
MAK-UNK-3f402c2b-29
0.301
MAK-UNK-ec98eaf6-13
0.300
MAK-UNK-3f402c2b-4
0.298
MAK-UNK-3f402c2b-7
0.298