Molecular Properties | |
SMILES: | O=C(Nc1ccccc1Oc1ccccc1CNc1nc2ccccc2[nH]1)C1CCN(C(=O)CCl)CC1 |
MW: | 518.017 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 8 |
TPSA: | 99.35 |
cLogP: | 5.3832 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-a7992eb3-8
0.490
MAK-UNK-1bb0b7ee-9
0.475
MAK-UNK-1bb0b7ee-12
0.465
MAK-UNK-a7992eb3-7
0.461
MAK-UNK-1bb0b7ee-15
0.425
MAK-UNK-a7992eb3-9
0.425
LON-WEI-120e5cf5-14
0.423
LON-WEI-120e5cf5-16
0.423
AAR-POS-0daf6b7e-6
0.417
MAR-TRE-6a44bbf2-15
0.417
MAK-UNK-1bb0b7ee-5
0.416
MAK-UNK-a7992eb3-12
0.415
MED-COV-4280ac29-17
0.407
AAR-POS-0daf6b7e-25
0.404
MAK-UNK-3d7e3904-2
0.402
MAK-UNK-a7992eb3-19
0.402
MAK-UNK-a7992eb3-25
0.398
MAK-UNK-1bb0b7ee-14
0.393
MAK-UNK-a7992eb3-6
0.393
MAK-UNK-3d7e3904-3
0.388
MAK-UNK-a7992eb3-3
0.388
MAK-UNK-a7992eb3-1
0.387
MAK-UNK-a7992eb3-2
0.377
SWA-SYN-40d44a84-4
0.376
MAR-TRE-6a44bbf2-86
0.371
LON-WEI-120e5cf5-15
0.371
MAK-UNK-a7992eb3-5
0.369
MAK-UNK-1ac43cfa-1
0.368
SWA-SYN-40d44a84-5
0.366
MAK-UNK-69bf97dd-4
0.363
LON-WEI-120e5cf5-17
0.362
LON-WEI-120e5cf5-1
0.362
AAR-POS-f650c5f2-4
0.362
AAR-POS-5507155c-2
0.362
LON-WEI-120e5cf5-9
0.351
LON-WEI-120e5cf5-11
0.350
LON-WEI-120e5cf5-18
0.348
LON-WEI-120e5cf5-20
0.340
MAK-UNK-c97f7c8f-1
0.340
LON-WEI-120e5cf5-12
0.339
MAK-UNK-69bf97dd-8
0.339
LON-WEI-120e5cf5-7
0.336
MAK-UNK-69bf97dd-7
0.333
LON-WEI-120e5cf5-13
0.330
LON-WEI-120e5cf5-19
0.327
LON-WEI-120e5cf5-21
0.327
MAK-UNK-69bf97dd-6
0.325
LON-WEI-120e5cf5-2
0.322
MAK-UNK-c97f7c8f-2
0.321
LON-WEI-120e5cf5-3
0.321
LON-WEI-120e5cf5-10
0.320
ALP-POS-a30bcdb4-1
0.320
SAD-SAT-29425be4-9
0.319
LON-WEI-120e5cf5-4
0.318
JAR-KUA-672ec752-12
0.315
SAD-SAT-29425be4-3
0.312
SAD-SAT-29425be4-10
0.312
SAD-SAT-29425be4-23
0.310
LON-WEI-120e5cf5-6
0.309
MAR-TRE-6a44bbf2-53
0.308
MAK-UNK-7c9d1431-25
0.308
SAD-SAT-29425be4-4
0.308
ALP-POS-3fc1724e-8
0.304
SAD-SAT-29425be4-14
0.303
MAK-UNK-69bf97dd-5
0.303
ASH-SAT-43770c7d-7
0.302
MAK-UNK-3ae66343-2
0.297
SAD-SAT-29425be4-20
0.295
SAD-SAT-29425be4-6
0.292
MAK-UNK-750cfbcc-2
0.287
SAD-SAT-29425be4-29
0.286
YOI-UNK-15f562e8-1
0.285
SAD-SAT-29425be4-15
0.283
SAD-SAT-29425be4-22
0.281
SAD-SAT-29425be4-19
0.281
RED-RED-10c9212c-55
0.279
ALP-POS-a30bcdb4-2
0.277
SAD-SAT-29425be4-25
0.276
LON-WEI-120e5cf5-5
0.276
WAR-XCH-b0339bbe-3
0.276
YOI-UNK-a533afbc-6
0.274
YOI-UNK-12211982-6
0.274
JAG-SYN-9c2cd0bd-8
0.274
SAD-SAT-29425be4-5
0.274
MAK-UNK-69bf97dd-9
0.274
SEB-HKI-06b43755-1
0.274
MAK-UNK-69bf97dd-3
0.273
MAR-TRE-6a44bbf2-27
0.273
SWA-SYN-40d44a84-1
0.270
SAD-SAT-29425be4-28
0.270
SAD-SAT-29425be4-13
0.270
AAR-POS-0daf6b7e-5
0.269
WAR-XCH-b0339bbe-19
0.268
SAD-SAT-f2e2579e-4
0.267
MAK-UNK-ec98eaf6-5
0.265
SAD-SAT-29425be4-8
0.264
SEL-UNI-cd366922-6
0.264
WAR-XCH-72a8c209-6
0.263
MAK-UNK-5d2caa6f-13
0.262
MAK-UNK-69bf97dd-1
0.262