Molecular Properties | |
SMILES: | Cc1cccc(-c2cc(CN3CCC(O)CC3)nn2C)c1 |
MW: | 285.391 |
Fraction sp3: | 0.47 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 41.29 |
cLogP: | 2.35222 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
MAK-UNK-e4a48a85-4
0.613
MAK-UNK-e4a48a85-9
0.373
MAK-UNK-e4a48a85-3
0.364
MAK-UNK-e4a48a85-11
0.337
CAM-STU-3ef21e73-1
0.333
MAR-UNI-9d4da90d-5
0.325
AAR-POS-d2a4d1df-7
0.310
MAK-UNK-e4a48a85-17
0.308
JOO-PER-74f994a9-1
0.303
MAK-UNK-acefcb18-25
0.296
MAK-UNK-acefcb18-21
0.296
MAK-UNK-acefcb18-27
0.295
SAM-UNK-2684b532-8
0.293
JAN-UNI-2e92c4b1-3
0.286
PET-SGC-39d74636-2
0.286
MAK-UNK-acefcb18-23
0.284
MIH-UNI-e573136b-7
0.284
MAR-UNI-9d4da90d-6
0.280
MAK-UNK-acefcb18-22
0.280
MAK-UNK-e4a48a85-5
0.279
AAR-POS-d2a4d1df-24
0.278
MAK-UNK-acefcb18-24
0.278
DUN-NEW-f8ce3686-11
0.277
CES-WAB-18e74d70-2
0.274
TRY-UNI-1fd04853-4
0.270
PET-SGC-39d74636-1
0.268
SAM-UNK-2684b532-9
0.260
MAK-UNK-af83ef51-11
0.256
MAK-UNK-acefcb18-20
0.255
SAD-SAT-f25ee457-4
0.253
TRY-UNI-9f475305-1
0.252
MAK-UNK-31051d4e-1
0.250
MAK-UNK-af83ef51-6
0.250
SEB-EST-28768d06-1
0.250
MAK-UNK-e4a48a85-10
0.248
MAK-UNK-e4a48a85-18
0.245
MAK-UNK-af83ef51-10
0.244
MAK-UNK-e4a48a85-19
0.243
MAK-UNK-acefcb18-26
0.243
MAK-UNK-e4a48a85-26
0.242
MAK-UNK-e4a48a85-7
0.240
MAK-UNK-5e88aa6a-12
0.239
MAK-UNK-10dfa458-11
0.239
MAK-UNK-10dfa458-10
0.238
MAK-UNK-acefcb18-17
0.238
SAM-UNK-903735bd-1
0.237
MAK-UNK-1cb0e944-13
0.237
MAK-UNK-31051d4e-2
0.235
MAK-UNK-acefcb18-28
0.235
RED-RED-10c9212c-24
0.233
MAK-UNK-1cb0e944-2
0.233
MAK-UNK-5e88aa6a-4
0.233
NIR-THE-0d6461ce-1
0.233
MAK-UNK-1cb0e944-10
0.232
MAK-UNK-10dfa458-7
0.232
JOR-UNI-61e7b1d5-5
0.231
MAK-UNK-af83ef51-5
0.231
HAR-NEW-e34cb1ae-8
0.231
SAM-UNK-83e03154-1
0.230
ASH-UNK-40b46b30-8
0.230
JOR-UNI-2fc98d0b-3
0.228
MAK-UNK-3f402c2b-3
0.227
MAK-UNK-af83ef51-8
0.227
JOR-UNI-61e7b1d5-24
0.226
NIY-UNK-62612a68-6
0.226
WAR-XCH-b6889685-6
0.226
MAK-UNK-1cb0e944-12
0.226
MAK-UNK-e4a48a85-16
0.225
MAK-UNK-5e88aa6a-5
0.223
MAK-UNK-1cb0e944-3
0.223
MAK-UNK-af83ef51-9
0.223
JOR-UNI-2fc98d0b-13
0.223
SAM-UNK-2684b532-10
0.222
BEN-DND-362d364a-11
0.222
SAD-SAT-5b1897b2-4
0.222
MAK-UNK-e4a48a85-14
0.222
MAK-UNK-31051d4e-3
0.222
JOR-UNI-61e7b1d5-25
0.221
PET-SGC-908c18f3-1
0.221
MAK-UNK-af83ef51-7
0.221
MAK-UNK-10dfa458-12
0.221
MAK-UNK-1cb0e944-6
0.220
MAK-UNK-5e88aa6a-8
0.220
SAD-SAT-c989feaa-8
0.219
STU-CHA-0be58c98-1
0.219
NIM-UNI-02269248-3
0.219
RAF-POL-b61b4b25-9
0.218
SAD-SAT-7d5528d9-7
0.218
MAK-UNK-5e88aa6a-10
0.217
MAK-UNK-1cb0e944-5
0.217
NIR-THE-0d6461ce-12
0.216
JOR-UNI-61e7b1d5-6
0.216
JAG-UCB-ef2c0e8e-8
0.216
MAK-UNK-acefcb18-16
0.215
PAT-UNK-b2d83456-1
0.214
SAD-SAT-29425be4-20
0.213
DOU-UNK-b5326f8f-18
0.212
MAK-UNK-acefcb18-18
0.212
NIR-THE-0d6461ce-11
0.211
MED-COV-4280ac29-4
0.211