Molecular Properties | |
SMILES: | CN1CCN(C(=O)C(C(=O)NCCc2c[nH]c3ccc(F)cc23)c2c[nH]c3ncccc23)CC1 |
MW: | 462.529 |
Fraction sp3: | 0.32 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 97.12 |
cLogP: | 2.3998 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
beta-keto/anhydride
Long aliphatic chain
Dye 11
MAK-UNK-10572812-14
0.579
MAK-UNK-10572812-9
0.522
MAK-UNK-10572812-8
0.504
MAK-UNK-10572812-6
0.504
MAK-UNK-10572812-15
0.496
MAK-UNK-10572812-7
0.492
MAK-UNK-10572812-16
0.479
MAK-UNK-10572812-17
0.475
NIC-BIO-174c9b04-1
0.465
AAR-POS-d2a4d1df-2
0.458
NIC-BIO-5044b423-1
0.456
NAU-LAT-81109c57-1
0.455
NAU-LAT-81109c57-4
0.440
MAK-UNK-be5ffcbc-3
0.436
NAU-LAT-81109c57-8
0.431
NIC-BIO-2722da07-1
0.431
MAK-UNK-be5ffcbc-1
0.430
NIC-BIO-2722da07-2
0.422
MAK-UNK-be5ffcbc-7
0.418
MAK-UNK-10572812-2
0.417
MAK-UNK-be5ffcbc-8
0.416
MAK-UNK-37f1d6fa-7
0.405
MAK-UNK-10572812-1
0.403
MAK-UNK-37f1d6fa-4
0.398
MAK-UNK-37f1d6fa-1
0.392
MAK-UNK-37f1d6fa-2
0.390
FRA-LAB-04e32718-1
0.389
NAU-LAT-81109c57-2
0.387
MAK-UNK-37f1d6fa-6
0.387
MAK-UNK-10572812-13
0.377
MAK-UNK-10572812-10
0.371
MAK-UNK-37f1d6fa-3
0.366
AAR-POS-d2a4d1df-20
0.364
MAK-UNK-10572812-4
0.364
MAK-UNK-10572812-12
0.362
SAN-PRS-3c4a6997-4
0.359
SID-ELM-1f105489-3
0.345
MAR-TRE-4f39ef4a-26
0.333
MAK-UNK-10572812-11
0.328
MAR-TRE-3159af1a-1
0.328
SID-ELM-1f105489-9
0.327
ABI-SAT-30e287c1-2
0.327
NAU-LAT-81109c57-7
0.325
MAR-TRE-7f7bb9f0-83
0.325
NIC-BIO-174c9b04-2
0.324
MAT-GIT-deadff56-1
0.324
DUN-NEW-f8ce3686-12
0.324
JOH-MEM-4bb7e4cc-1
0.324
MAR-UCB-195bc32d-16
0.324
JOH-MSK-a63bdd1d-4
0.324
MAR-TRE-3724962b-29
0.323
NIC-BIO-ec630548-4
0.319
SID-ELM-1f105489-6
0.319
MAK-UNK-176ca439-5
0.318
MAK-UNK-72b7ba6b-1
0.318
MAR-TRE-3159af1a-67
0.314
MAK-UNK-10dfa458-15
0.313
MAR-TRE-3159af1a-21
0.312
SAD-SAT-f25ee457-10
0.312
NIC-BIO-ec630548-2
0.311
MAK-UNK-10572812-5
0.311
MAR-TRE-85681e92-60
0.310
MAR-TRE-3159af1a-36
0.310
DAR-DIA-eace69ff-36
0.310
SID-ELM-1f105489-12
0.310
SAN-PRS-3c4a6997-1
0.308
NIC-BIO-174c9b04-3
0.308
MAR-TRE-3159af1a-99
0.307
JAR-IMP-ed466bb3-19
0.304
IND-SYN-6c8299e8-4
0.304
MAR-TRE-3159af1a-35
0.303
JOH-MSK-35a8745a-1
0.303
ALE-ACE-2610ee4d-1
0.303
MAR-UCB-195bc32d-21
0.303
NIC-BIO-3276ca7f-1
0.303
MAR-TRE-3159af1a-44
0.302
MAR-TRE-3159af1a-19
0.300
MAR-TRE-3159af1a-37
0.300
NIC-BIO-29f4a211-1
0.299
SID-ELM-1f105489-17
0.298
JOH-MSK-a63bdd1d-6
0.296
TAM-UNI-c140e31a-22
0.295
MAR-TRE-3159af1a-84
0.295
NIC-BIO-ec630548-3
0.295
MAR-TRE-92684b97-67
0.293
NIC-BIO-25446079-3
0.293
MAR-TRE-3159af1a-24
0.292
IND-SYN-3aa4e743-1
0.292
IND-SYN-6c8299e8-5
0.292
MAR-TRE-c317dd82-56
0.292
NIC-BIO-29f4a211-2
0.292
NIC-BIO-ec630548-1
0.292
NIC-BIO-f814dd3d-1
0.291
GAB-FRA-261eb2a6-1
0.290
MAR-UCB-195bc32d-13
0.290
JOH-MSK-a63bdd1d-5
0.289
MAK-UNK-be5ffcbc-6
0.288
MAR-TRE-3159af1a-75
0.287
NIC-UNI-f08e2453-1
0.287
ASH-UNK-40b46b30-7
0.286