Molecular Properties | |
SMILES: | O=C(Nc1ccccc1N1CCC1)C1CCN(C(=O)CCl)CC1 |
MW: | 335.14 |
Fraction sp3: | 0.53 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 52.65 |
cLogP: | 2.31 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
AAR-POS-0daf6b7e-6
AAR-POS-0daf6b7e-6
0.615
MAR-TRE-6a44bbf2-15
0.615
LON-WEI-120e5cf5-16
0.597
MAK-UNK-3d7e3904-3
0.556
MAR-TRE-6a44bbf2-86
0.522
LON-WEI-120e5cf5-15
0.522
MAK-UNK-a7992eb3-7
0.513
MAK-UNK-a7992eb3-8
0.512
MED-COV-4280ac29-17
0.488
LON-WEI-120e5cf5-14
0.481
LON-WEI-120e5cf5-20
0.471
MAK-UNK-a7992eb3-9
0.461
LON-WEI-120e5cf5-19
0.461
LON-WEI-120e5cf5-11
0.459
LON-WEI-120e5cf5-10
0.458
MAK-UNK-a7992eb3-1
0.457
MAK-UNK-69bf97dd-4
0.447
MAK-UNK-c97f7c8f-1
0.446
LON-WEI-120e5cf5-21
0.442
LON-WEI-120e5cf5-12
0.438
LON-WEI-120e5cf5-3
0.434
MAK-UNK-c97f7c8f-2
0.434
MAK-UNK-a7992eb3-5
0.432
LON-WEI-120e5cf5-13
0.429
LON-WEI-120e5cf5-18
0.429
MAK-UNK-750cfbcc-2
0.429
MAK-UNK-a7992eb3-2
0.427
LON-WEI-120e5cf5-4
0.425
AAR-POS-f650c5f2-4
0.418
AAR-POS-5507155c-2
0.418
LON-WEI-120e5cf5-17
0.418
LON-WEI-120e5cf5-1
0.418
MAK-UNK-69bf97dd-5
0.409
LON-WEI-120e5cf5-7
0.409
MAK-UNK-a7992eb3-6
0.404
MAK-UNK-a7992eb3-4
0.402
LON-WEI-120e5cf5-9
0.398
SAD-SAT-29425be4-3
0.398
SAD-SAT-29425be4-23
0.393
LON-WEI-120e5cf5-2
0.391
BEN-DND-76ad4ac9-4
0.387
JAG-SYN-9c2cd0bd-8
0.387
MAK-UNK-69bf97dd-8
0.384
LON-WEI-120e5cf5-6
0.383
UNK-UNK-2ede4078-27
0.383
MAR-TRE-6a44bbf2-79
0.379
MAK-UNK-750cfbcc-3
0.379
MAK-UNK-69bf97dd-7
0.375
SAD-SAT-29425be4-20
0.373
LON-WEI-120e5cf5-5
0.373
MAK-UNK-a7992eb3-3
0.370
SAD-SAT-29425be4-14
0.370
SAD-SAT-29425be4-4
0.370
MAK-UNK-750cfbcc-5
0.368
VIR-GIT-7b3d3065-2
0.368
AAR-POS-0daf6b7e-9
0.368
SAD-SAT-5b1897b2-10
0.366
MAK-UNK-750cfbcc-1
0.365
AAR-POS-0daf6b7e-5
0.365
SAD-SAT-29425be4-15
0.357
MAK-UNK-69bf97dd-9
0.356
SAD-SAT-29425be4-5
0.356
SAD-SAT-29425be4-29
0.356
SAD-SAT-29425be4-9
0.356
AAR-POS-d2a4d1df-28
0.355
MAK-UNK-69bf97dd-10
0.355
MAK-UNK-3d7e3904-1
0.354
SAD-SAT-29425be4-13
0.353
SAD-SAT-29425be4-19
0.353
SAD-SAT-29425be4-6
0.353
SAD-SAT-29425be4-28
0.353
MAK-UNK-69bf97dd-1
0.352
JAR-IMP-ed466bb3-12
0.350
DUN-NEW-f8ce3686-3
0.349
MAK-UNK-69bf97dd-6
0.348
SWA-SYN-6423ea73-1
0.347
SWA-SYN-d2e6fa14-1
0.347
YOI-UNK-12211982-6
0.345
YOI-UNK-a533afbc-6
0.345
ASH-SAT-43770c7d-7
0.343
MAK-UNK-704ed37c-2
0.342
SAD-SAT-29425be4-25
0.340
MAK-UNK-6ca90168-11
0.338
SAD-SAT-29425be4-12
0.337
YOI-UNK-15f562e8-1
0.337
MAK-UNK-750cfbcc-4
0.333
MAR-TRE-6a44bbf2-66
0.333
SAD-SAT-29425be4-10
0.330
KRI-MAR-d2e3ef86-12
0.330
SAD-SAT-9a6c5cf3-10
0.330
JAG-SYN-9c2cd0bd-4
0.329
MAK-UNK-704ed37c-5
0.329
MAK-UNK-704ed37c-4
0.329
MAK-UNK-704ed37c-7
0.324
YOI-UNK-15f562e8-5
0.324
MAK-UNK-69bf97dd-3
0.323
MAR-TRE-6a44bbf2-9
0.321
MAK-UNK-704ed37c-6
0.320
MAK-UNK-69bf97dd-2
0.320
AAR-POS-0daf6b7e-19
0.319