Molecular Properties | |
SMILES: | CC(NCc1ccc(C#N)cc1)C1CCOC1 |
MW: | 230.14 |
Fraction sp3: | 0.5 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 45.05 |
cLogP: | 2.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-035-313-903 |
AAR-POS-d2a4d1df-5
AAR-POS-d2a4d1df-21
0.338
MAK-UNK-f983951f-23
0.312
MAK-UNK-be3f299e-10
0.293
NIC-BIO-a68395b7-2
0.291
RAF-POL-950dada1-10
0.286
LON-WEI-5e7d1b3e-32
0.284
LON-WEI-4d77710c-32
0.284
MAK-UNK-6ca90168-14
0.282
DRR-IMP-38dce17f-7
0.282
SWA-SYN-6423ea73-7
0.276
SWA-SYN-d2e6fa14-7
0.276
NEL-UNI-1464a899-8
0.267
MAR-TRE-14ce9fd6-55
0.254
JOH-UNI-522b0723-1
0.243
MAK-UNK-9955b1f3-1
0.241
MAR-TRE-14ce9fd6-35
0.241
NEL-UNI-1464a899-3
0.240
MAR-TRE-14ce9fd6-62
0.239
PHI-UNK-c3ab17cb-1
0.238
MAR-TRE-14ce9fd6-52
0.236
MAR-TRE-a3327163-91
0.235
TRY-UNI-1fd04853-8
0.233
MAR-TRE-1c920f6f-97
0.229
MAR-TRE-14ce9fd6-21
0.229
MAR-TRE-14ce9fd6-29
0.229
MAR-TRE-e82e6c98-56
0.226
MAR-TRE-14ce9fd6-33
0.226
JAN-GHE-fd8d85a5-8
0.224
MAR-TRE-0fda4e82-81
0.222
PAT-GYR-359dbb24-4
0.222
MAR-TRE-e86a56b5-80
0.221
SAD-SAT-f25ee457-4
0.221
MAR-TRE-be9ff7d2-78
0.220
PAT-GYR-359dbb24-1
0.218
VIK-SYN-9a3d118a-8
0.217
MAR-TRE-2fd8122f-69
0.217
PED-UNI-b79f0f51-2
0.216
CLI-TLC-bf000c24-1
0.214
MAT-POS-ea426761-27
0.214
PAT-GYR-359dbb24-3
0.214
MAK-UNK-987948f6-3
0.213
MAK-UNK-be3f299e-3
0.213
MAR-TRE-14ce9fd6-84
0.212
PAT-GYR-359dbb24-2
0.212
MAR-TRE-0fda4e82-11
0.210
MAR-TRE-14ce9fd6-9
0.209
MAR-TRE-14ce9fd6-41
0.209
RAL-THA-2d450e86-5
0.209
PED-UNI-a9f4e7c0-1
0.209
PET-SGC-cb83a00c-1
0.207
MAR-TRE-14ce9fd6-34
0.207
JAN-UNI-2e92c4b1-4
0.207
SAD-SAT-89668ff1-3
0.207
MAR-TRE-1c920f6f-27
0.205
MAR-TRE-a3327163-42
0.205
TAM-UNI-d1c3dd9f-18
0.205
MAR-TRE-14ce9fd6-73
0.205
BEN-VAN-77cef4f8-13
0.204
BEN-VAN-77cef4f8-14
0.204
MAR-TRE-1c920f6f-43
0.202
DAR-DIA-fb20be43-3
0.202
WIL-LEE-1f71e281-1
0.202
MAR-TRE-a9136c7b-29
0.202
MAR-TRE-14ce9fd6-44
0.200
KIM-UNI-7d12df64-2
0.200
JAN-GHE-fd8d85a5-12
0.200
PAT-GYR-de8eec61-4
0.200
JOH-UNI-522b0723-12
0.198
MAR-TRE-799db12b-62
0.198
MAR-TRE-14ce9fd6-38
0.198
MAR-TRE-14ce9fd6-47
0.198
PAT-GYR-359dbb24-5
0.198
MAR-TRE-4b834d9a-92
0.196
JOH-ILL-da934517-2
0.196
MAR-TRE-14ce9fd6-13
0.195
AAR-POS-d2a4d1df-5
0.194
SAD-SAT-f25ee457-9
0.194
PAT-GYR-de8eec61-5
0.194
MAR-TRE-92684b97-3
0.194
WAR-XCH-b72a1bbc-34
0.193
PET-SGC-34dcf0dc-1
0.193
JOH-ILL-da934517-4
0.193
MAR-TRE-14ce9fd6-8
0.193
JOH-UNI-522b0723-2
0.192
TAM-UNI-d1c3dd9f-1
0.192
DAR-DIA-fb20be43-16
0.192
FAB-NA_-a03f4448-1
0.191
PAT-GYR-de8eec61-2
0.191
FAB-UNK-7ad5ab26-1
0.191
FAB-UNK-03d90bbc-1
0.191
WAR-XCH-b0339bbe-8
0.191
MAR-TRE-be9ff7d2-29
0.191
MAR-TRE-be9ff7d2-69
0.190
MAR-TRE-a3327163-53
0.190
MAR-TRE-0fda4e82-56
0.190
MAR-TRE-1c920f6f-39
0.190
JAN-UNI-2e92c4b1-5
0.190
COM-UCB-8c7d23dc-10
0.189
MAK-UNK-9955b1f3-5
0.189
MAK-UNK-be3f299e-5
0.189