Molecular Properties | |
SMILES: | N#CC(C(=O)CN1CCOCC1)c1ccccc1 |
MW: | 244.12 |
Fraction sp3: | 0.43 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 53.33 |
cLogP: | 1.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2635011317 |
MolPort: | MolPort-002-302-546 |
Ketones
aliphatic ketone not ring and not di-carbonyl
Ketone
MAR-TRE-0fda4e82-25
0.661
MAR-TRE-0fda4e82-27
0.649
MAR-TRE-0fda4e82-57
0.565
BAR-COM-4e090d3a-45
0.349
AAR-POS-0daf6b7e-28
0.344
MAK-UNK-748f8b7a-11
0.318
MAR-TRE-6a44bbf2-92
0.314
BEN-DND-93268d01-10
0.297
MAR-TRE-66ac689e-61
0.296
GIA-UNK-20b63697-2
0.295
ARI-TAT-5792557e-4
0.295
GIA-UNK-3f36037a-6
0.288
AAR-POS-0daf6b7e-30
0.286
JOH-UNI-522b0723-10
0.286
GIA-UNK-3f36037a-2
0.282
MAR-LAB-ff9967db-17
0.280
PAT-GYR-de8eec61-4
0.278
MAR-TRE-9c797165-3
0.277
MAR-TRE-a3327163-23
0.276
GIA-UNK-eaadd1d4-3
0.276
MAK-UNK-10dfa458-39
0.276
MAK-UNK-5d2caa6f-5
0.274
MAR-TRE-a3327163-98
0.273
MAK-UNK-be5ffcbc-7
0.273
MAR-TRE-0fda4e82-52
0.270
AAR-POS-d2a4d1df-21
0.270
MAK-UNK-6ca90168-11
0.268
MED-COV-4280ac29-22
0.267
ROB-UNI-b2e39629-12
0.266
MAR-LAB-ca4662a6-5
0.263
MAR-TRE-8190bb11-56
0.263
MAT-POS-b5746674-64
0.261
SIM-SYN-f15aaa3a-1
0.261
JOR-UNI-61e7b1d5-16
0.260
PRA-FNM-00b4ace8-1
0.260
GIA-UNK-d2defdc3-6
0.260
WIL-LEE-1f71e281-4
0.260
MAR-TRE-a3327163-4
0.259
MAR-TRE-fd17a9b8-68
0.259
PAT-GYR-de8eec61-1
0.256
DAR-DIA-3e9bbd81-11
0.253
GIA-UNK-d2defdc3-5
0.253
MAR-TRE-e82e6c98-52
0.253
ROD-UFR-93b30032-1
0.253
PAT-GYR-de8eec61-3
0.253
JOR-UNI-61e7b1d5-3
0.253
ALP-POS-6d04362c-5
0.250
MAR-TRE-c317dd82-81
0.250
AAR-POS-0daf6b7e-29
0.250
RED-RED-10c9212c-47
0.250
MAR-TRE-3e4e6814-16
0.250
JOH-IMS-1436231f-6
0.250
PAT-GYR-de8eec61-7
0.250
LON-WEI-adc59df6-25
0.248
MAR-TRE-fd17a9b8-20
0.247
BAR-COM-0f94fc3d-7
0.247
GIA-UNK-20b63697-5
0.247
GIA-UNK-7337c2f3-1
0.247
JOH-UNI-c7afdb96-12
0.247
MAR-TRE-85681e92-75
0.246
VLA-UNK-b5cf542b-1
0.246
SAD-SAT-7d5528d9-3
0.244
SAM-UNK-2684b532-10
0.244
DUN-NEW-f8ce3686-13
0.244
MAR-TRE-dab8f6ea-15
0.244
MAR-TRE-6c5ef77a-21
0.243
MAK-UNK-be3f299e-5
0.243
MAK-UNK-6ca90168-12
0.243
MAR-TRE-dab8f6ea-5
0.242
SAD-SAT-24589cd1-6
0.242
MAK-UNK-3e0761f8-9
0.241
PET-SGC-cb83a00c-1
0.241
GIA-UNK-20b63697-6
0.241
GIA-UNK-7337c2f3-3
0.241
JOR-UNI-61e7b1d5-17
0.240
ALP-POS-02c6a514-55
0.240
MAT-POS-ea426761-62
0.240
GIA-UNK-20b63697-7
0.240
WIL-LEE-23e8b574-6
0.239
JOH-UNI-522b0723-12
0.239
MAR-TRE-d3c2bf0e-47
0.239
JAR-KUA-672ec752-7
0.239
MAR-TRE-a3327163-16
0.239
MAR-TRE-8190bb11-7
0.238
JOH-ILL-da934517-4
0.238
JOR-UNI-61e7b1d5-4
0.238
DAR-DIA-3e9bbd81-12
0.237
MAR-TRE-a3327163-41
0.237
GIA-UNK-7337c2f3-2
0.237
SEL-UNI-cd366922-2
0.237
MAK-UNK-be3f299e-7
0.237
WIL-LEE-23e8b574-5
0.237
PAT-GYR-359dbb24-1
0.237
ANT-DIA-b7f58f21-9
0.236
ALP-POS-88a7a97e-47
0.236
GIA-UNK-7337c2f3-15
0.235
JOH-ILL-da934517-3
0.235
MAR-TRE-6a44bbf2-20
0.235
AHN-SAT-de2502ba-12
0.235
SAD-SAT-65574d3f-8
0.235