Molecular Properties | |
SMILES: | CC(C)(C#N)N1CCOCC1 |
MW: | 154.11 |
Fraction sp3: | 0.88 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 36.26 |
cLogP: | 0.62 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | EN300-17583 |
Enamine SCR: | Z56964475 |
Mcule: | MCULE-5720972987 |
MolPort: | MolPort-003-755-172 |
N-C-Hal or cyano methyl
AAR-POS-d2a4d1df-5
JOH-UNI-27ac80fd-16
0.288
MAR-TRE-6c5ef77a-21
0.268
MAK-UNK-f983951f-6
0.256
MAK-UNK-be3f299e-5
0.245
MAK-UNK-9955b1f3-2
0.240
MAK-UNK-f983951f-21
0.238
MAR-TRE-0fda4e82-37
0.237
JOH-UNI-27ac80fd-20
0.236
WIL-NOV-649f4ed0-5
0.232
MAR-TRE-6c5ef77a-38
0.222
ANT-DIA-b7f58f21-9
0.219
MAR-TRE-a3327163-41
0.219
MAR-TRE-d3c2bf0e-47
0.216
JOH-UNI-27ac80fd-14
0.213
MAR-LAB-ca4662a6-5
0.210
JOH-UNI-9dc98897-3
0.210
MAK-UNK-be3f299e-9
0.209
MAR-TRE-a3327163-23
0.206
JOH-UNI-27ac80fd-12
0.204
MAR-TRE-6c5ef77a-83
0.203
MAR-TRE-d3c2bf0e-64
0.200
MAR-TRE-a3327163-98
0.197
WIL-NOV-649f4ed0-2
0.197
AAR-POS-d2a4d1df-21
0.197
JOH-UNI-27ac80fd-15
0.196
JOH-UNI-27ac80fd-17
0.196
JOH-UNI-27ac80fd-22
0.196
KEI-TRE-fa9ada3e-9
0.196
ROB-UNI-b2e39629-12
0.195
AHN-SAT-de2502ba-13
0.194
MAR-TRE-6a44bbf2-83
0.194
JOH-UNI-27ac80fd-18
0.193
MAR-TRE-a3327163-4
0.191
JOH-UNI-9dc98897-1
0.190
BEN-DND-93268d01-10
0.190
JOH-UNI-27ac80fd-13
0.190
MAK-UNK-9955b1f3-3
0.189
JOH-UNI-522b0723-1
0.186
JOH-IMS-1436231f-6
0.185
AAR-POS-0daf6b7e-29
0.185
TAM-UNI-d1c3dd9f-1
0.185
DAR-DIA-fb20be43-16
0.185
PET-SGC-cb83a00c-1
0.185
JOH-UNI-9dc98897-10
0.185
JOH-UNI-27ac80fd-21
0.183
AAR-POS-d2a4d1df-19
0.183
AAR-POS-0daf6b7e-28
0.182
MAK-UNK-be3f299e-3
0.182
JOH-UNI-9dc98897-7
0.182
WIL-LEE-1f71e281-1
0.181
JAN-GHE-fd8d85a5-12
0.179
SCO-VAN-260d9628-4
0.179
YOI-UNK-f445e09d-2
0.179
YOI-UNK-9f5fb3d8-2
0.179
SAD-SAT-f0a2747f-5
0.179
MAR-TRE-9c797165-83
0.179
JOH-UNI-9dc98897-2
0.179
MAK-UNK-748f8b7a-11
0.179
SAD-SAT-6b5a89f0-2
0.178
JOR-UNI-61e7b1d5-16
0.176
WIL-NOV-649f4ed0-1
0.176
JOH-UNI-522b0723-10
0.176
SAD-SAT-f25ee457-4
0.175
JOH-UNI-9dc98897-6
0.175
JOH-UNI-9dc98897-9
0.175
JOR-UNI-61e7b1d5-17
0.174
MAR-TRE-f5c2d31c-34
0.173
SAD-SAT-7d5528d9-8
0.173
MAR-LAB-ca4662a6-9
0.172
PAT-GYR-359dbb24-2
0.172
MAK-UNK-be5ffcbc-4
0.171
MAR-TRE-f5c2d31c-9
0.171
MAR-TRE-6a44bbf2-42
0.169
MAR-TRE-fffca54f-43
0.169
MAR-TRE-f5c2d31c-25
0.169
TAT-ENA-80bfd3e5-27
0.169
SAD-SAT-24589cd1-6
0.169
JOR-UNI-61e7b1d5-4
0.169
JOH-UNI-27ac80fd-19
0.167
MAR-TRE-f5c2d31c-18
0.167
MAR-TRE-f5c2d31c-37
0.167
DUN-NEW-f8ce3686-13
0.167
JOH-UNI-9dc98897-5
0.167
JOH-UNI-9dc98897-8
0.167
MAK-UNK-6ca90168-18
0.167
MAR-TRE-3159af1a-17
0.167
JOR-UNI-61e7b1d5-3
0.167
STU-CHA-128b80be-1
0.165
MAR-TRE-f5c2d31c-12
0.165
JOH-UNI-9dc98897-4
0.164
MAR-TRE-f5c2d31c-54
0.163
MAR-TRE-f5c2d31c-7
0.163
MAR-TRE-f5c2d31c-8
0.163
MAR-TRE-f5c2d31c-43
0.163
MAR-TRE-f5c2d31c-96
0.163
MAR-TRE-fd17a9b8-72
0.163
MAK-UNK-0b1cbb06-1
0.162
SAD-SAT-65574d3f-8
0.162
MAR-TRE-6a44bbf2-20
0.162
AHN-SAT-de2502ba-12
0.162