Molecular Properties | |
SMILES: | CC(C)[C@H](NCC#N)C(=O)N1CCOCC1 |
MW: | 225.15 |
Fraction sp3: | 0.82 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 65.36 |
cLogP: | -0.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5795873845 |
cyanohydrin
N-C-Hal or cyano methyl
cyanamide
AAR-POS-d2a4d1df-5
MAK-UNK-f983951f-6
0.447
MAR-TRE-c317dd82-96
0.333
MAK-UNK-f983951f-21
0.320
MAR-TRE-be9ff7d2-16
0.314
JOH-UNI-27ac80fd-17
0.306
PET-SGC-cb83a00c-1
0.300
AAR-POS-d2a4d1df-21
0.299
PAT-GYR-359dbb24-2
0.271
PAT-GYR-359dbb24-3
0.270
GIA-UNK-3f36037a-1
0.270
WIL-LEE-1f71e281-1
0.269
JOH-UNI-27ac80fd-19
0.262
PAT-GYR-359dbb24-1
0.261
MAR-TRE-66ac689e-61
0.256
ANT-DIA-b7f58f21-9
0.256
KEI-TRE-fa9ada3e-9
0.255
GIA-UNK-3f36037a-2
0.254
WIL-NOV-649f4ed0-2
0.253
SAD-SAT-89668ff1-8
0.250
JAN-GHE-fd8d85a5-12
0.247
SCO-VAN-260d9628-4
0.247
TAM-UNI-d1c3dd9f-21
0.247
PAT-GYR-359dbb24-4
0.247
MAR-TRE-67513f76-86
0.247
RAF-POL-b61b4b25-1
0.246
MAR-TRE-6c5ef77a-34
0.246
MAK-UNK-be3f299e-7
0.245
ROB-UNI-b2e39629-12
0.244
GIA-UNK-3f36037a-6
0.243
MAR-TRE-0fda4e82-37
0.243
SAD-SAT-f25ee457-4
0.241
SAD-SAT-6b5a89f0-2
0.241
SAD-SAT-f25ee457-9
0.239
MAR-TRE-dab8f6ea-45
0.237
PAT-GYR-de8eec61-4
0.237
WIL-LEE-23e8b574-8
0.237
DAR-DIA-fb20be43-16
0.236
TAM-UNI-d1c3dd9f-1
0.236
ARI-TAT-5792557e-4
0.234
PAT-GYR-359dbb24-5
0.234
SAD-SAT-6b5a89f0-7
0.233
MAR-TRE-dab8f6ea-29
0.233
JOH-UNI-27ac80fd-1
0.231
PAT-GYR-de8eec61-3
0.230
MAR-TRE-7f7bb9f0-80
0.230
MAK-UNK-6ca90168-18
0.228
MAR-TRE-8190bb11-7
0.228
SAD-SAT-f25ee457-2
0.227
PAT-GYR-de8eec61-5
0.226
MAT-POS-59e2c5d7-1
0.226
AAR-POS-d2a4d1df-42
0.226
ROB-UNI-b2e39629-11
0.225
PAT-GYR-de8eec61-2
0.224
PET-SGC-276eba5a-1
0.223
SAD-SAT-f25ee457-3
0.223
WIL-NOV-649f4ed0-5
0.222
DUN-NEW-f8ce3686-13
0.221
MAR-TRE-a3327163-19
0.221
JUL-TUD-06b2044f-151
0.220
DAR-DIA-fb20be43-17
0.220
DAR-DIA-fb20be43-18
0.220
MAR-TRE-c317dd82-7
0.220
SAD-SAT-1b030f84-10
0.219
GIA-UNK-995df016-1
0.219
PAT-GYR-de8eec61-1
0.217
WIL-LEE-1f71e281-4
0.216
STU-CHA-128b80be-1
0.215
MAR-TRE-6c5ef77a-21
0.214
MAR-TRE-c317dd82-13
0.214
LUI-IND-a1be81af-2
0.214
MAR-TRE-c317dd82-27
0.213
SAD-SAT-6b5a89f0-4
0.213
ALP-POS-0c0a3b93-1
0.213
GIA-UNK-d2defdc3-5
0.212
MAR-TRE-6a44bbf2-42
0.212
MAK-UNK-ec98eaf6-25
0.212
MAR-TRE-6c5ef77a-38
0.212
PAT-GYR-de8eec61-7
0.212
GIA-UNK-30c7cb75-2
0.211
BAR-COM-4e090d3a-66
0.211
ALP-POS-84f19ead-2
0.211
GIA-UNK-30c7cb75-5
0.211
RAF-POL-f691468c-2
0.211
MAR-TRE-3159af1a-17
0.210
MAR-TRE-a3327163-77
0.209
JOH-UNI-27ac80fd-22
0.209
MAR-TRE-9c797165-83
0.208
MAK-UNK-6ca90168-7
0.208
MAK-UNK-6c8f5f75-1
0.207
SAD-SAT-2ceae68f-9
0.205
MAR-TRE-dab8f6ea-41
0.205
MAR-TRE-dab8f6ea-26
0.205
STU-CHA-6cae54d3-1
0.205
ASH-SAT-43770c7d-6
0.204
PAU-WEI-f734c343-2
0.204
ABI-SAT-3cb25904-2
0.203
MAR-LAB-ca4662a6-5
0.203
BEN-DND-93268d01-10
0.203
MAR-TRE-dab8f6ea-37
0.202
MAR-TRE-a9136c7b-17
0.202