Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(c2c(F)cc(N(c3cncnc3)c3cccc4[nH]ccc34)cc2F)CC1 |
MW: | 482.14 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 68.36 |
cLogP: | 4.59 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
N,N-Dialkyl aniline derivatives (2)
MED-COV-4280ac29-15
NIM-UNI-310206f0-33
0.753
NIM-UNI-310206f0-61
0.694
NIM-UNI-310206f0-57
0.625
NIM-UNI-310206f0-47
0.619
NIM-UNI-310206f0-55
0.612
NIM-UNI-310206f0-65
0.606
NIM-UNI-310206f0-62
0.600
NIM-UNI-310206f0-60
0.600
NIM-UNI-310206f0-50
0.590
NIM-UNI-310206f0-53
0.577
NIM-UNI-310206f0-58
0.577
NIM-UNI-310206f0-64
0.575
NIM-UNI-310206f0-20
0.571
NIM-UNI-310206f0-56
0.571
NIM-UNI-310206f0-52
0.565
NIM-UNI-310206f0-59
0.560
NIM-UNI-310206f0-66
0.556
NIM-UNI-310206f0-30
0.536
NIM-UNI-310206f0-10
0.510
NIM-UNI-310206f0-36
0.474
NIM-UNI-310206f0-3
0.461
NIM-UNI-310206f0-6
0.447
NIM-UNI-310206f0-11
0.441
NIM-UNI-310206f0-15
0.429
NIM-UNI-310206f0-46
0.415
NIM-UNI-310206f0-49
0.412
NIM-UNI-310206f0-1
0.409
NIM-UNI-310206f0-43
0.402
NIM-UNI-310206f0-31
0.400
NIM-UNI-310206f0-27
0.394
NIM-UNI-310206f0-22
0.393
NIM-UNI-310206f0-23
0.392
NIM-UNI-310206f0-12
0.392
NIM-UNI-310206f0-28
0.391
NIM-UNI-310206f0-25
0.390
NIM-UNI-310206f0-4
0.385
NIM-UNI-310206f0-32
0.385
NIM-UNI-310206f0-13
0.385
NIM-UNI-310206f0-29
0.384
NIM-UNI-310206f0-24
0.380
NIM-UNI-310206f0-44
0.380
NIM-UNI-310206f0-14
0.380
NIM-UNI-310206f0-26
0.376
NIM-UNI-310206f0-48
0.374
NIM-UNI-310206f0-42
0.373
NIM-UNI-310206f0-54
0.372
NIM-UNI-310206f0-21
0.371
NIM-UNI-310206f0-18
0.370
NIM-UNI-310206f0-38
0.370
NIM-UNI-310206f0-7
0.368
NIM-UNI-310206f0-17
0.368
NIM-UNI-310206f0-51
0.367
NIM-UNI-310206f0-37
0.365
NIM-UNI-310206f0-5
0.364
NIM-UNI-310206f0-40
0.363
NIM-UNI-310206f0-16
0.363
NIM-UNI-310206f0-19
0.363
NIM-UNI-310206f0-45
0.361
NIM-UNI-310206f0-34
0.360
NIM-UNI-310206f0-41
0.360
NIM-UNI-310206f0-63
0.352
NIM-UNI-310206f0-35
0.347
NIM-UNI-310206f0-8
0.347
NIM-UNI-310206f0-9
0.340
NIM-UNI-310206f0-2
0.333
GIA-UNK-b9c616ea-5
0.330
MAT-POS-162a9720-4
0.326
SAD-SAT-5b1897b2-8
0.305
SAD-SAT-5b1897b2-10
0.304
SAD-SAT-65574d3f-9
0.301
SAD-SAT-5b1897b2-4
0.298
MAT-POS-162a9720-2
0.296
NIL-NON-a189c016-1
0.296
DRR-IMP-38dce17f-4
0.295
DRR-IMP-38dce17f-2
0.289
AAR-POS-0daf6b7e-18
0.287
VIK-SYN-9a3d118a-4
0.286
MAR-TRE-6a44bbf2-87
0.286
VIK-SYN-bf9c9ac8-7
0.286
GIA-UNK-7337c2f3-5
0.282
NIM-UNI-310206f0-67
0.280
JOH-UNI-0304dea8-1
0.280
STE-KUL-2e0d2e88-3
0.279
GIA-UNK-7337c2f3-4
0.277
SAD-SAT-5b1897b2-5
0.277
ANT-STE-dbb91f63-2
0.277
JOH-UNI-7a6e29a5-1
0.276
AAR-POS-d2a4d1df-23
0.276
BEN-DND-03406596-10
0.276
LON-WEI-8f408cad-4
0.276
MAR-TRE-6a44bbf2-18
0.276
SAD-SAT-5b1897b2-3
0.274
SAD-SAT-5b1897b2-1
0.274
BEN-DND-76ad4ac9-8
0.273
GIA-UNK-7337c2f3-13
0.271
MAR-TRE-a9136c7b-76
0.270
AHN-SAT-de2502ba-15
0.270
MED-COV-4280ac29-18
0.269
JOH-UNI-0e1753c1-3
0.268
MED-COV-4280ac29-15
0.268