Molecular Properties | |
SMILES: | C=CC(=O)N1CCN(CN2CCCOCC2)C(C)C1 |
MW: | 267.373 |
Fraction sp3: | 0.79 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 36.02 |
cLogP: | 0.384900000000001 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
non_ring_CH2O_acetal
Methylendiamines (1)
acyclic N-C-N
JOH-UNI-27ac80fd-5
0.705
JOH-UNI-27ac80fd-8
0.672
JOH-UNI-27ac80fd-7
0.662
JOH-UNI-27ac80fd-13
0.561
JOH-UNI-27ac80fd-3
0.556
JOH-UNI-27ac80fd-11
0.521
JOH-UNI-27ac80fd-6
0.451
JOH-UNI-27ac80fd-1
0.446
JOH-UNI-27ac80fd-9
0.408
JOH-UNI-27ac80fd-4
0.400
JOH-UNI-27ac80fd-2
0.400
JOH-UNI-27ac80fd-14
0.397
ANT-OPE-3756b28b-1
0.390
JOH-UNI-27ac80fd-12
0.348
MAK-UNK-9955b1f3-3
0.319
MAK-UNK-9955b1f3-15
0.316
MAK-UNK-9955b1f3-2
0.286
JOH-UNI-27ac80fd-17
0.284
JOH-UNI-27ac80fd-19
0.282
SAD-SAT-c989feaa-6
0.281
SAD-SAT-6b5a89f0-9
0.281
MAK-UNK-9955b1f3-4
0.279
ANT-OPE-e67e7ba0-1
0.275
SAD-SAT-c989feaa-7
0.267
TOB-UNK-c2aba166-2
0.265
JOH-UNI-27ac80fd-20
0.263
ANT-OPE-c0c3e7cc-1
0.263
ORN-MSD-f9d8c68a-1
0.262
AGN-NEW-5f02c22c-1
0.259
SAD-SAT-b55127ae-4
0.253
ANT-OPE-d972fbad-1
0.250
JOO-IND-b13e14cc-1
0.247
WAR-XCH-72a8c209-9
0.244
SAD-SAT-f0a2747f-10
0.244
MAK-UNK-10dfa458-2
0.244
MAK-UNK-9955b1f3-16
0.241
SAD-SAT-1f400d17-1
0.240
JOH-ILL-da934517-1
0.239
ORN-MSD-5b974918-1
0.238
SAD-SAT-b55127ae-10
0.237
SAD-SAT-1f400d17-6
0.237
MAR-TRE-dab8f6ea-37
0.237
JOR-UNI-2fc98d0b-9
0.236
MAK-UNK-10dfa458-8
0.235
JOH-IMS-cc7b4c67-4
0.235
MAK-UNK-10dfa458-14
0.235
AHN-SAT-02ef6d10-10
0.235
SAD-SAT-581007d4-8
0.235
SEA-TRI-078a8df3-1
0.234
JOH-UNI-27ac80fd-28
0.233
AHN-SAT-02ef6d10-7
0.232
MAK-UNK-10dfa458-1
0.231
STU-CHA-128b80be-2
0.230
BEN-VAN-c986b20b-14
0.229
MAK-UNK-10dfa458-9
0.229
AHN-SAT-02ef6d10-9
0.228
NIR-THE-b7e8e081-1
0.227
JOR-UNI-61e7b1d5-10
0.227
MAR-TRE-dab8f6ea-33
0.225
AHN-SAT-02ef6d10-6
0.225
MAR-TRE-dab8f6ea-26
0.224
SAD-SAT-2ceae68f-8
0.224
MAK-UNK-10dfa458-7
0.223
JOR-UNI-61e7b1d5-11
0.222
JOO-IND-6372a4f3-4
0.221
MAK-UNK-6ca90168-16
0.221
DAV-IMP-59dd6621-8
0.220
MAK-UNK-6ca90168-13
0.220
MAR-TRE-9c797165-64
0.217
MAK-UNK-10dfa458-10
0.214
MAR-TRE-dab8f6ea-16
0.214
SAD-SAT-edc8a235-6
0.213
BEN-VAN-77cef4f8-5
0.212
AUS-WAB-916db9c0-2
0.210
LON-WEI-adc59df6-25
0.209
MAK-UNK-748f8b7a-13
0.209
TRY-UNI-9f475305-9
0.209
JOH-UNI-e19b918c-13
0.207
MAT-POS-4e253971-2
0.207
AHN-SAT-02ef6d10-8
0.206
MAK-UNK-f983951f-6
0.206
MAR-TRE-dab8f6ea-20
0.206
GIA-UNK-3f36037a-1
0.205
MAK-UNK-748f8b7a-11
0.205
PAT-MCD-fb0933e5-1
0.205
MIH-UNI-e573136b-6
0.204
BEN-VAN-77cef4f8-4
0.203
BEN-VAN-77cef4f8-6
0.203
PAT-GYR-359dbb24-1
0.202
SAD-SAT-f0a2747f-6
0.202
SAD-SAT-7d5528d9-2
0.202
SAD-SAT-f0a2747f-7
0.202
JAN-GHE-bf40f168-9
0.200
JOH-UNI-27ac80fd-34
0.200
SAD-SAT-2ceae68f-10
0.200
MAK-UNK-10799360-19
0.200
MAR-TRE-dab8f6ea-41
0.200
JOH-UNI-e19b918c-5
0.200
SAD-SAT-c989feaa-4
0.200
MED-COV-4280ac29-22
0.198