Molecular Properties | |
SMILES: | C=CC(=O)N1CCN(CN2CCCOCC2)CC1 |
MW: | 253.346 |
Fraction sp3: | 0.77 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 36.02 |
cLogP: | -0.00359999999999894 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
non_ring_CH2O_acetal
Methylendiamines (1)
acyclic N-C-N
JOH-UNI-27ac80fd-1
0.680
JOH-UNI-27ac80fd-2
0.630
JOH-UNI-27ac80fd-4
0.630
JOH-UNI-27ac80fd-11
0.556
JOH-UNI-27ac80fd-10
0.556
JOH-UNI-27ac80fd-12
0.509
JOH-UNI-27ac80fd-6
0.476
JOH-UNI-27ac80fd-9
0.426
JOH-UNI-27ac80fd-5
0.424
TOB-UNK-c2aba166-2
0.407
JOH-UNI-27ac80fd-8
0.406
JOH-UNI-27ac80fd-7
0.400
JOH-UNI-27ac80fd-14
0.394
MAK-UNK-9955b1f3-15
0.385
SAD-SAT-6b5a89f0-9
0.370
SAD-SAT-1f400d17-1
0.361
MAK-UNK-10dfa458-2
0.359
ANT-OPE-c0c3e7cc-1
0.358
SAD-SAT-1f400d17-6
0.355
MAK-UNK-9955b1f3-3
0.350
ANT-OPE-d972fbad-1
0.349
SAD-SAT-b55127ae-4
0.348
MAK-UNK-10dfa458-1
0.344
AHN-SAT-02ef6d10-6
0.333
JOH-UNI-27ac80fd-13
0.329
SAD-SAT-b55127ae-10
0.328
MAK-UNK-6ca90168-16
0.327
SAD-SAT-2ceae68f-8
0.324
SAD-SAT-581007d4-8
0.324
MAK-UNK-6ca90168-13
0.324
AHN-SAT-02ef6d10-10
0.324
MAK-UNK-10dfa458-8
0.319
AHN-SAT-02ef6d10-7
0.316
STU-CHA-128b80be-2
0.314
MAK-UNK-9955b1f3-2
0.311
JOH-UNI-27ac80fd-17
0.308
JOH-UNI-27ac80fd-19
0.306
JOO-IND-6372a4f3-4
0.301
MAT-POS-4e253971-2
0.295
SAD-SAT-f0a2747f-6
0.293
SAD-SAT-f0a2747f-9
0.292
NIR-THE-b7e8e081-1
0.289
MAK-UNK-9955b1f3-4
0.282
JOH-UNI-27ac80fd-34
0.278
ORN-MSD-f9d8c68a-1
0.277
MAK-UNK-10dfa458-14
0.276
MAK-UNK-9955b1f3-16
0.273
JAN-GHE-bf40f168-9
0.268
JAN-GHE-6413aaf8-9
0.265
JOH-UNI-27ac80fd-20
0.265
ORN-MSD-5b974918-1
0.264
MAK-UNK-10dfa458-9
0.260
SAD-SAT-b55127ae-1
0.260
MED-COV-4280ac29-32
0.260
MAK-UNK-6ca90168-2
0.257
SEA-TRI-98d2cd42-1
0.255
SAD-SAT-edc8a235-6
0.255
JOH-UNI-27ac80fd-26
0.254
MAK-UNK-6ca90168-12
0.254
MAK-UNK-6ca90168-21
0.254
PEI-IMP-3d837503-2
0.250
MAT-POS-2db6411e-1
0.250
MAK-UNK-10dfa458-7
0.250
AHN-SAT-02ef6d10-3
0.246
SAD-SAT-3a925b8b-10
0.246
SEA-TRI-078a8df3-1
0.245
JAN-GHE-6413aaf8-5
0.244
MAK-UNK-10dfa458-10
0.243
MAK-UNK-10dfa458-6
0.243
MAK-UNK-10dfa458-18
0.243
MED-COV-4280ac29-14
0.243
JAN-GHE-6413aaf8-7
0.242
BEN-DND-03ad4429-7
0.239
JAG-SYN-9c2cd0bd-1
0.239
MAK-UNK-10dfa458-4
0.239
MAK-UNK-10dfa458-15
0.238
SAD-SAT-1f400d17-10
0.237
SAD-SAT-b55127ae-5
0.236
DAV-IMP-59dd6621-23
0.236
MAK-UNK-748f8b7a-11
0.235
JAN-GHE-6413aaf8-8
0.235
JOR-UNI-2fc98d0b-9
0.235
MAK-UNK-10dfa458-5
0.233
BEN-DND-03ad4429-3
0.233
JOH-UNI-e19b918c-5
0.231
SAD-SAT-2ceae68f-7
0.230
MAR-LAB-ff9967db-17
0.229
MAK-UNK-f983951f-21
0.228
ANT-OPE-3756b28b-1
0.228
JAN-GHE-6413aaf8-6
0.228
MAR-TRE-9c797165-64
0.227
MAK-UNK-10dfa458-13
0.227
JAN-GHE-4287bd1a-1
0.227
SAD-SAT-f0a2747f-10
0.227
JOR-UNI-61e7b1d5-10
0.225
MAK-UNK-212f693e-24
0.225
JAN-GHE-6413aaf8-1
0.224
AHN-SAT-02ef6d10-5
0.224
JOH-UNI-0e1753c1-2
0.222
MAR-TRE-dab8f6ea-37
0.221