Molecular Properties | |
SMILES: | Cc1ccc(OCC(=O)c2cc(CN3CCC(O)CC3)oc2C(F)(F)F)cc1 |
MW: | 397.393 |
Fraction sp3: | 0.45 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 62.91 |
cLogP: | 3.82522 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ketone
AAR-POS-d2a4d1df-7
MAK-UNK-acefcb18-22
0.489
MAK-UNK-acefcb18-23
0.457
MAK-UNK-acefcb18-21
0.418
MAK-UNK-acefcb18-20
0.406
MAK-UNK-acefcb18-16
0.344
MAK-UNK-acefcb18-17
0.333
CAM-STU-3ef21e73-1
0.318
MAR-UNI-9d4da90d-5
0.310
MAK-UNK-e4a48a85-3
0.307
AAR-POS-d2a4d1df-6
0.306
MAK-UNK-acefcb18-18
0.302
PET-SGC-cb62ec31-1
0.286
JOH-IMS-cc7b4c67-4
0.286
SAM-UNK-2684b532-8
0.284
CES-WAB-18e74d70-2
0.280
MAK-UNK-e4a48a85-6
0.278
MAK-UNK-1cb0e944-12
0.273
MAK-UNK-acefcb18-26
0.273
SAD-SAT-f25ee457-4
0.271
JOH-IMS-cc7b4c67-6
0.269
MAT-POS-b5746674-72
0.267
MAK-UNK-acefcb18-19
0.267
MAT-POS-b5746674-74
0.265
NAU-LAT-42d4957e-2
0.264
JAN-UNI-2e92c4b1-3
0.263
PET-SGC-39d74636-2
0.263
SAD-SAT-cefd50cc-7
0.261
PET-SGC-39d74636-1
0.261
TRY-UNI-9f475305-1
0.259
MAK-UNK-acefcb18-25
0.258
MAR-UNI-9d4da90d-6
0.258
PET-SGC-ae7b447e-1
0.252
NAU-LAT-42d4957e-1
0.250
AAR-POS-d2a4d1df-7
0.250
MAK-UNK-e4a48a85-9
0.250
JOH-IMS-cc7b4c67-2
0.250
MAK-UNK-acefcb18-29
0.248
WIL-WAB-1289c0dd-1
0.248
DRA-CSI-0a78d9ba-13
0.248
WAR-XCH-b6889685-15
0.247
JOH-IMS-cc7b4c67-8
0.245
SAM-UNK-903735bd-1
0.245
MAK-UNK-e4a48a85-17
0.244
MAK-UNK-e4a48a85-4
0.243
SAM-UNK-2684b532-9
0.243
MAK-UNK-1cb0e944-6
0.242
MAK-UNK-5e88aa6a-8
0.242
MAK-UNK-acefcb18-27
0.242
MAK-UNK-10dfa458-7
0.240
MAK-UNK-1cb0e944-5
0.240
MAK-UNK-5e88aa6a-10
0.240
MAK-UNK-af83ef51-33
0.240
MAK-UNK-e4a48a85-5
0.239
SAM-UNK-83e03154-1
0.239
TRY-UNI-1fd04853-4
0.238
MAK-UNK-5e88aa6a-1
0.236
DRA-CSI-0a78d9ba-4
0.234
DUN-NEW-f8ce3686-11
0.234
MAK-UNK-1cb0e944-3
0.233
MAK-UNK-5e88aa6a-5
0.233
DRA-CSI-0a78d9ba-6
0.232
MAR-LAB-ca4662a6-2
0.231
PET-SGC-fedd1f79-1
0.231
MAK-UNK-1cb0e944-2
0.230
MAK-UNK-5e88aa6a-4
0.230
MAK-UNK-e4a48a85-11
0.230
MAK-UNK-5e88aa6a-3
0.227
MAK-UNK-1cb0e944-4
0.227
MAK-UNK-5e88aa6a-7
0.227
MAK-UNK-e4a48a85-26
0.226
SEB-EST-28768d06-1
0.223
MAK-UNK-31051d4e-1
0.222
DOU-UNK-b5326f8f-18
0.221
MAK-UNK-1cb0e944-13
0.221
BEN-VAN-c986b20b-9
0.220
MAK-UNK-acefcb18-28
0.220
MAK-UNK-e4a48a85-19
0.220
MAR-TRE-fd17a9b8-36
0.219
MAK-UNK-e4a48a85-18
0.219
MAK-UNK-5e88aa6a-2
0.218
MAK-UNK-acefcb18-31
0.218
MAK-UNK-1cb0e944-10
0.217
BEN-VAN-c986b20b-8
0.215
RED-RED-10c9212c-20
0.214
BEN-VAN-c986b20b-18
0.214
MAK-UNK-e4a48a85-16
0.214
MIH-UNI-e573136b-7
0.214
GIA-UNK-595fac82-5
0.213
MAT-POS-b5746674-64
0.212
MAK-UNK-acefcb18-1
0.211
MAK-UNK-e4a48a85-10
0.211
DRA-CSI-0a78d9ba-2
0.210
MAK-UNK-31051d4e-2
0.209
MAK-UNK-31051d4e-3
0.209
SAM-UNK-2684b532-10
0.209
PET-SGC-908c18f3-1
0.208
JOO-PER-74f994a9-1
0.207
MAK-UNK-10dfa458-14
0.205
ASH-UNK-40b46b30-8
0.205
HAR-NEW-e34cb1ae-2
0.205