Molecular Properties | |
SMILES: | Cc1ccc(OCC(=O)c2c[nH]c(CN3CCC(O)CC3)n2)cc1 |
MW: | 329.4 |
Fraction sp3: | 0.44 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 78.45 |
cLogP: | 1.93652 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ketone
AAR-POS-d2a4d1df-7
MAK-UNK-acefcb18-23
0.500
MAK-UNK-acefcb18-24
0.489
MAK-UNK-acefcb18-21
0.457
MAK-UNK-acefcb18-20
0.429
MAR-UNI-9d4da90d-5
0.346
AAR-POS-d2a4d1df-6
0.342
MAK-UNK-acefcb18-17
0.337
MAK-UNK-acefcb18-16
0.333
MAK-UNK-e4a48a85-3
0.309
CAM-STU-3ef21e73-1
0.306
PET-SGC-cb62ec31-1
0.302
SAM-UNK-2684b532-8
0.299
SAD-SAT-cefd50cc-7
0.298
JAN-UNI-2e92c4b1-3
0.292
PET-SGC-39d74636-2
0.292
MAK-UNK-acefcb18-18
0.291
MAR-UNI-9d4da90d-6
0.287
JOH-IMS-cc7b4c67-6
0.283
MAK-UNK-acefcb18-19
0.282
MAT-POS-b5746674-72
0.281
CES-WAB-18e74d70-2
0.281
MAK-UNK-e4a48a85-6
0.280
MAT-POS-b5746674-74
0.280
JOH-IMS-cc7b4c67-2
0.276
JOH-IMS-cc7b4c67-4
0.275
WIL-WAB-1289c0dd-1
0.270
DUN-NEW-f8ce3686-11
0.270
SAM-UNK-2684b532-9
0.267
AAR-POS-d2a4d1df-7
0.266
MAK-UNK-e4a48a85-17
0.265
SAM-UNK-83e03154-1
0.262
MAK-UNK-acefcb18-26
0.262
NAU-LAT-42d4957e-1
0.262
PET-SGC-39d74636-1
0.261
WAR-XCH-b6889685-15
0.261
SAD-SAT-f25ee457-4
0.260
TRY-UNI-9f475305-1
0.259
MAK-UNK-acefcb18-25
0.258
MAK-UNK-acefcb18-29
0.258
MAK-UNK-5e88aa6a-5
0.258
MAK-UNK-1cb0e944-3
0.258
SAM-UNK-903735bd-1
0.257
JOH-IMS-cc7b4c67-8
0.257
MAK-UNK-acefcb18-27
0.256
PET-SGC-fedd1f79-1
0.252
PET-SGC-ae7b447e-1
0.252
TRY-UNI-1fd04853-4
0.250
MAK-UNK-e4a48a85-5
0.250
DRA-CSI-0a78d9ba-13
0.248
MAK-UNK-1cb0e944-12
0.247
MAK-UNK-e4a48a85-4
0.243
MAK-UNK-1cb0e944-6
0.242
MAK-UNK-5e88aa6a-8
0.242
MAK-UNK-e4a48a85-11
0.242
NAU-LAT-42d4957e-2
0.241
MAK-UNK-1cb0e944-10
0.240
MAK-UNK-af83ef51-33
0.240
MAK-UNK-1cb0e944-5
0.240
MAK-UNK-5e88aa6a-10
0.240
CLI-TLC-0b41e95c-1
0.238
MAK-UNK-e4a48a85-9
0.236
MAK-UNK-5e88aa6a-1
0.235
SEB-EST-28768d06-1
0.234
MAK-UNK-5e88aa6a-12
0.233
DRA-CSI-0a78d9ba-6
0.231
MAR-TRE-fd17a9b8-36
0.229
MAK-UNK-1cb0e944-2
0.229
MAK-UNK-e4a48a85-18
0.229
MAK-UNK-5e88aa6a-4
0.229
MAK-UNK-10dfa458-7
0.228
ASH-UNK-40b46b30-8
0.226
MAK-UNK-5e88aa6a-3
0.226
MAK-UNK-5e88aa6a-7
0.226
MAK-UNK-1cb0e944-4
0.226
MAK-UNK-e4a48a85-26
0.225
GIA-UNK-595fac82-5
0.225
MAK-UNK-acefcb18-1
0.222
CLI-TLC-6e8ddb09-1
0.221
MAR-TRE-74c6519b-29
0.221
MAK-UNK-31051d4e-1
0.221
DOU-UNK-b5326f8f-18
0.220
MAK-UNK-1cb0e944-13
0.220
JOH-IMS-cc7b4c67-1
0.220
MAT-POS-162a9720-8
0.220
MAT-POS-ea426761-34
0.219
MAK-UNK-acefcb18-28
0.219
MAK-UNK-31051d4e-3
0.219
SAM-UNK-2684b532-10
0.219
MAK-UNK-e4a48a85-19
0.218
MAK-UNK-acefcb18-31
0.217
DRA-CSI-0a78d9ba-16
0.217
JOR-UNI-61e7b1d5-5
0.216
JOR-UNI-61e7b1d5-6
0.214
BEN-VAN-c986b20b-18
0.213
MAK-UNK-e4a48a85-7
0.213
JON-UNI-bb9dc649-8
0.213
EDJ-MED-3c65e9ce-4
0.213
MAK-UNK-e4a48a85-16
0.213
JOR-UNI-61e7b1d5-24
0.212
MAR-TRE-799db12b-89
0.212