Molecular Properties | |
SMILES: | COCCS(=O)(=O)N(CC1CC1)c1cc(F)c(N2CCN(C(=O)CCl)CC2)c(F)c1 |
MW: | 465.13 |
Fraction sp3: | 0.63 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 9 |
TPSA: | 70.16 |
cLogP: | 2.04 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
N,N-Dialkyl aniline derivatives (2)
Long aliphatic chain
Hetero_hetero
MED-COV-4280ac29-15
NIM-UNI-310206f0-25
0.684
NIM-UNI-310206f0-26
0.641
NIM-UNI-310206f0-37
0.598
NIM-UNI-310206f0-14
0.586
NIM-UNI-310206f0-34
0.573
NIM-UNI-310206f0-27
0.567
NIM-UNI-310206f0-29
0.556
NIM-UNI-310206f0-48
0.545
NIM-UNI-310206f0-6
0.534
NIM-UNI-310206f0-36
0.517
NIM-UNI-310206f0-58
0.500
NIM-UNI-310206f0-54
0.485
NIM-UNI-310206f0-51
0.484
NIM-UNI-310206f0-44
0.484
NIM-UNI-310206f0-63
0.484
NIM-UNI-310206f0-9
0.477
NIM-UNI-310206f0-8
0.476
NIM-UNI-310206f0-38
0.473
NIM-UNI-310206f0-35
0.465
NIM-UNI-310206f0-46
0.463
NIM-UNI-310206f0-32
0.462
NIM-UNI-310206f0-13
0.462
NIM-UNI-310206f0-40
0.459
NIM-UNI-310206f0-42
0.458
NIM-UNI-310206f0-11
0.447
NIM-UNI-310206f0-12
0.440
NIM-UNI-310206f0-23
0.440
NIM-UNI-310206f0-7
0.434
NIM-UNI-310206f0-4
0.419
NIM-UNI-310206f0-31
0.415
NIM-UNI-310206f0-55
0.413
NIM-UNI-310206f0-18
0.412
NIM-UNI-310206f0-1
0.412
NIM-UNI-310206f0-28
0.406
NIM-UNI-310206f0-60
0.406
NIM-UNI-310206f0-20
0.404
NIM-UNI-310206f0-43
0.404
NIM-UNI-310206f0-19
0.402
NIM-UNI-310206f0-3
0.400
NIM-UNI-310206f0-41
0.400
NIM-UNI-310206f0-33
0.394
NIM-UNI-310206f0-22
0.394
NIM-UNI-310206f0-47
0.390
NIM-UNI-310206f0-15
0.390
NIM-UNI-310206f0-2
0.389
NIM-UNI-310206f0-17
0.381
NIM-UNI-310206f0-57
0.381
NIM-UNI-310206f0-24
0.380
NIM-UNI-310206f0-5
0.378
NIM-UNI-310206f0-16
0.375
NIM-UNI-310206f0-21
0.370
NIM-UNI-310206f0-62
0.365
NIM-UNI-310206f0-56
0.363
NIM-UNI-310206f0-52
0.362
NIM-UNI-310206f0-39
0.361
NIM-UNI-310206f0-66
0.353
NIM-UNI-310206f0-61
0.348
NIM-UNI-310206f0-50
0.345
NIM-UNI-310206f0-65
0.345
NIM-UNI-310206f0-64
0.345
NIM-UNI-310206f0-10
0.343
NIM-UNI-310206f0-53
0.342
NIM-UNI-310206f0-30
0.342
AAR-POS-0daf6b7e-18
0.341
SAD-SAT-5b1897b2-5
0.341
NIM-UNI-310206f0-49
0.339
NIM-UNI-310206f0-59
0.336
SAD-SAT-5b1897b2-10
0.329
MAT-POS-162a9720-4
0.321
KAI-MCD-cb49037b-1
0.310
DRR-IMP-38dce17f-2
0.310
SAD-SAT-65574d3f-9
0.310
VIK-SYN-bf9c9ac8-7
0.309
MAR-TRE-6a44bbf2-87
0.309
VIK-SYN-9a3d118a-4
0.309
SAD-SAT-5b1897b2-4
0.306
MED-COV-4280ac29-37
0.305
ABB-MCD-f8003a30-1
0.303
MAT-POS-162a9720-2
0.303
MAK-UNK-7c9d1431-10
0.303
NIL-NON-a189c016-1
0.303
MAR-TRE-6a44bbf2-32
0.303
PEI-IMP-ca0b2813-3
0.301
MAR-TRE-6a44bbf2-41
0.300
NIR-THE-0d6461ce-8
0.300
DUN-NEW-f8ce3686-25
0.299
JIA-UNI-93b03cae-1
0.299
SAD-SAT-581007d4-1
0.299
MAK-UNK-d4768348-7
0.295
MAK-UNK-3c359d2a-1
0.295
MAK-UNK-176ca439-4
0.295
MED-COV-4280ac29-33
0.293
MAK-UNK-d4768348-9
0.293
MAK-UNK-7c9d1431-19
0.293
MAK-UNK-7c9d1431-17
0.292
JOK-SYG-b9f02a42-3
0.291
MAK-UNK-e4a48a85-14
0.291
NIR-THE-0d6461ce-6
0.290
MAK-UNK-af83ef51-14
0.290
DRR-IMP-11d47bff-1
0.289