Molecular Properties | |
SMILES: | C[C@@H](CC(=O)N1CCN(C)CC1)OCC1CCCCC1 |
MW: | 282.23 |
Fraction sp3: | 0.94 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 32.78 |
cLogP: | 2.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
JOH-IMS-cc7b4c67-7
0.557
MAK-UNK-b1917cc8-1
0.338
SID-ELM-1f105489-1
0.284
MAK-UNK-b1917cc8-3
0.284
DAR-DIA-03336633-12
0.281
MAK-UNK-b1917cc8-2
0.279
SID-ELM-1f105489-2
0.278
NIC-UNI-f08e2453-2
0.278
AAR-POS-d2a4d1df-6
0.278
JOH-IMS-0f19a540-8
0.275
ALE-SYG-bac15da4-1
0.274
JOH-IMS-cc7b4c67-5
0.269
JOH-ILL-da934517-2
0.261
JOH-IMS-cc7b4c67-1
0.260
MAT-CRI-b80b8c24-2
0.257
DRR-IMP-11d47bff-1
0.257
MAK-UNK-acefcb18-14
0.255
AAR-POS-d2a4d1df-20
0.253
GIA-UNK-d2defdc3-3
0.250
MIC-UNK-a28eba03-2
0.247
VIK-SYN-9a3d118a-5
0.247
VIK-SYN-bf9c9ac8-1
0.242
YOI-UNK-15f562e8-4
0.242
ARI-TAT-5792557e-15
0.241
MAK-UNK-230cdef2-7
0.240
VIR-GIT-7b3d3065-3
0.239
AAR-POS-0daf6b7e-19
0.239
JAR-KUA-672ec752-3
0.239
MAT-POS-ea426761-43
0.236
MAR-TRE-3724962b-9
0.234
SID-ELM-1f105489-4
0.233
JAR-KUA-672ec752-14
0.232
WAR-XCH-72a8c209-12
0.230
SID-ELM-1f105489-7
0.230
SID-ELM-1f105489-5
0.229
VIK-SYN-9a3d118a-3
0.229
NIC-BIO-2722da07-1
0.226
IND-SYN-6c8299e8-4
0.224
SID-ELM-1f105489-8
0.224
MAT-CRI-9411f3da-1
0.222
JAR-KUA-672ec752-11
0.222
VIK-SYN-9a3d118a-1
0.221
GIA-UNK-5ec6c2b8-2
0.221
MAK-UNK-c749d764-15
0.220
MAR-TRE-67513f76-5
0.220
GIA-UNK-20b63697-6
0.220
GIA-UNK-3f36037a-1
0.219
SID-ELM-1f105489-3
0.218
MAR-SOS-c7881798-10
0.217
MAR-SOS-82e3a7c7-5
0.217
WAR-XCH-72a8c209-9
0.216
NIM-UNI-310206f0-29
0.216
SID-ELM-1f105489-6
0.216
WAR-XCH-72a8c209-5
0.216
LYN-UNI-0d9431a4-4
0.216
JOH-IMS-cc7b4c67-6
0.215
GIA-UNK-4de5abb1-3
0.214
DAN-MCD-93e7aadc-1
0.214
WAR-XCH-72a8c209-3
0.213
KAT-UNK-c8a6cb16-1
0.213
ALE-HEI-f28a35b5-6
0.212
EDG-MED-0da5ad92-4
0.212
TRY-UNI-714a760b-10
0.212
GIA-UNK-20b63697-5
0.212
NIM-UNI-310206f0-25
0.211
ASH-SAT-43770c7d-6
0.210
MAR-TRE-6a44bbf2-41
0.210
ALE-SYG-bac15da4-2
0.209
AAR-POS-0daf6b7e-44
0.208
VIK-SYN-bf9c9ac8-4
0.208
NAU-LAT-ec9c7557-3
0.208
WAR-XCH-b0339bbe-7
0.207
MAT-POS-ea426761-99
0.207
NIC-BIO-174c9b04-3
0.207
SAD-SAT-d8079f6f-4
0.206
JON-UNI-2a110085-1
0.206
SAD-SAT-5b1897b2-6
0.205
MAK-UNK-6ca90168-22
0.205
MIH-UNI-e573136b-7
0.205
NIC-BIO-174c9b04-1
0.205
MAR-TRE-4b834d9a-32
0.204
RAF-UNK-9885c2f5-2
0.204
NIC-UNI-f08e2453-1
0.204
MAK-UNK-4b073b5c-16
0.203
WAR-XCH-79d12f6e-9
0.202
SID-ELM-1f105489-11
0.202
WAR-XCH-72a8c209-13
0.202
JOK-SYG-6ec557d2-1
0.200
MAK-UNK-987948f6-15
0.200
AHN-SAT-de2502ba-1
0.200
SAD-SAT-135344c3-7
0.200
NIC-BIO-5044b423-1
0.200
NIC-UNK-21c5e845-4
0.200
HAR-NEW-e34cb1ae-5
0.200
NIM-UNI-310206f0-8
0.200
MAR-TRE-3e4e6814-10
0.200
SID-ELM-b654bfa2-8
0.200
LYN-UNI-7bb260d6-6
0.200
MAR-TRE-6a44bbf2-77
0.200
MAK-UNK-750cfbcc-3
0.200