Molecular Properties | |
SMILES: | C=CC(=O)N1CCN(CN2CCCOCC2)CC1C |
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-6
0.746
JOH-UNI-27ac80fd-9
0.698
JOH-UNI-27ac80fd-3
0.556
JOH-UNI-27ac80fd-14
0.545
JOH-UNI-27ac80fd-10
0.521
JOH-UNI-27ac80fd-1
0.469
JOH-UNI-27ac80fd-4
0.441
JOH-UNI-27ac80fd-2
0.441
JOH-UNI-27ac80fd-8
0.427
JOH-UNI-27ac80fd-5
0.425
JOH-UNI-27ac80fd-7
0.421
JOH-UNI-27ac80fd-12
0.409
JOH-UNI-27ac80fd-13
0.392
MAK-UNK-9955b1f3-15
0.333
MAK-UNK-9955b1f3-3
0.319
MAK-UNK-9955b1f3-2
0.304
MAK-UNK-9955b1f3-4
0.279
ORN-MSD-f9d8c68a-1
0.262
JOH-UNI-27ac80fd-20
0.247
JOH-UNI-27ac80fd-19
0.247
MAK-UNK-9955b1f3-16
0.241
ORN-MSD-5b974918-1
0.238
SAD-SAT-6b5a89f0-9
0.237
AGN-NEW-5f02c22c-1
0.237
JOH-UNI-27ac80fd-17
0.234
MED-COV-4280ac29-13
0.233
JOH-UNI-27ac80fd-29
0.233
ANT-OPE-c0c3e7cc-1
0.232
STU-CHA-128b80be-2
0.230
ANT-OPE-3756b28b-1
0.230
SAD-SAT-f0a2747f-10
0.229
JOH-ILL-da934517-1
0.226
MAR-TRE-dab8f6ea-26
0.224
MAR-TRE-dab8f6ea-37
0.223
MAR-TRE-c317dd82-69
0.223
SAD-SAT-b55127ae-4
0.222
JOR-UNI-61e7b1d5-11
0.222
GIA-UNK-3f36037a-1
0.221
DAV-IMP-59dd6621-8
0.220
AHN-SAT-02ef6d10-8
0.219
MAR-LAB-ff9967db-17
0.217
JOR-UNI-2fc98d0b-9
0.213
MAK-UNK-10dfa458-12
0.213
MAK-UNK-10dfa458-2
0.212
SEA-TRI-078a8df3-1
0.212
NAU-LAT-f723e322-4
0.212
TOB-UNK-c2aba166-2
0.211
MAR-TRE-c317dd82-23
0.210
MAK-UNK-4b073b5c-19
0.209
MAK-UNK-748f8b7a-13
0.209
SAD-SAT-1f400d17-1
0.208
SAD-SAT-b55127ae-10
0.207
MAR-TRE-e82e6c98-52
0.207
MAR-TRE-dab8f6ea-44
0.206
MAR-TRE-9c797165-64
0.206
JOR-UNI-61e7b1d5-10
0.205
MAK-UNK-748f8b7a-11
0.205
SAD-SAT-1f400d17-6
0.205
MAK-UNK-3f402c2b-7
0.205
RAF-POL-f691468c-2
0.205
WAR-XCH-72a8c209-9
0.204
MAK-UNK-6ca90168-16
0.203
ANT-OPE-d972fbad-1
0.203
JOH-UNI-27ac80fd-16
0.203
MAR-TRE-0fda4e82-37
0.202
UNK-CYC-68f84b31-16
0.202
MAR-TRE-dab8f6ea-33
0.202
MAK-UNK-10dfa458-9
0.200
SAD-SAT-2ceae68f-10
0.200
MAR-TRE-dab8f6ea-41
0.200
MAK-UNK-10dfa458-1
0.200
LON-WEI-adc59df6-25
0.198
JOH-IMS-cc7b4c67-4
0.198
AUS-WAB-916db9c0-2
0.198
MED-COV-4280ac29-22
0.198
MAK-UNK-10dfa458-14
0.198
MAR-LAB-ca4662a6-5
0.198
AHN-SAT-02ef6d10-9
0.198
AHN-SAT-02ef6d10-7
0.197
MAR-TRE-c317dd82-27
0.196
SAD-SAT-2ceae68f-8
0.195
AHN-SAT-02ef6d10-6
0.195
MAK-UNK-f983951f-27
0.194
MAR-TRE-a9136c7b-11
0.194
MAR-TRE-dab8f6ea-20
0.194
MAK-UNK-f983951f-21
0.194
MAR-TRE-f5c2d31c-68
0.194
MAT-POS-4e253971-2
0.194
JOO-IND-6372a4f3-4
0.193
JOH-UNI-abdb2f0c-3
0.193
NIM-UNI-310206f0-7
0.193
MAK-UNK-10dfa458-8
0.193
JOH-UNI-e19b918c-13
0.193
MIH-UNI-e573136b-6
0.192
MAK-UNK-987948f6-9
0.191
SAD-SAT-581007d4-8
0.190
AHN-SAT-02ef6d10-10
0.190
MAR-TRE-dab8f6ea-16
0.190
AAR-POS-0daf6b7e-38
0.190
MAK-UNK-6ca90168-13
0.190