Molecular Properties | |
SMILES: | Cc1ccc(-c2c(CN3CCC(O)CC3)cnn2-c2cccc(C)c2)cc1 |
MW: | 361.489 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 41.29 |
cLogP: | 4.11284 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
MAR-UNI-9d4da90d-5
0.375
CAM-STU-3ef21e73-1
0.366
MAK-UNK-e4a48a85-6
0.364
MAK-UNK-e4a48a85-9
0.337
SAM-UNK-2684b532-8
0.337
MAK-UNK-e4a48a85-4
0.330
MAK-UNK-acefcb18-23
0.327
JAN-UNI-2e92c4b1-3
0.318
PET-SGC-39d74636-2
0.318
MAK-UNK-acefcb18-25
0.314
MAR-UNI-9d4da90d-6
0.314
MAK-UNK-acefcb18-22
0.309
MAK-UNK-acefcb18-24
0.307
MAK-UNK-acefcb18-21
0.298
MAK-UNK-acefcb18-20
0.297
MAK-UNK-e4a48a85-11
0.293
SAM-UNK-2684b532-9
0.290
PET-SGC-39d74636-1
0.287
MAK-UNK-e4a48a85-17
0.286
TRY-UNI-9f475305-1
0.280
DUN-NEW-f8ce3686-11
0.280
CES-WAB-18e74d70-2
0.278
JOO-PER-74f994a9-1
0.274
TRY-UNI-1fd04853-4
0.274
MAK-UNK-e4a48a85-5
0.270
SAD-SAT-f25ee457-4
0.269
MAK-UNK-acefcb18-27
0.267
SEB-EST-28768d06-1
0.267
AAR-POS-d2a4d1df-7
0.263
MIH-UNI-e573136b-7
0.260
SAM-UNK-903735bd-1
0.255
MAK-UNK-31051d4e-1
0.255
RED-RED-10c9212c-24
0.253
MAK-UNK-31051d4e-3
0.252
MAK-UNK-e4a48a85-10
0.252
MAK-UNK-1cb0e944-5
0.250
MAK-UNK-5e88aa6a-10
0.250
MAK-UNK-acefcb18-17
0.244
SAD-SAT-5b1897b2-4
0.244
MAK-UNK-5e88aa6a-5
0.242
MAK-UNK-1cb0e944-3
0.242
MAK-UNK-1cb0e944-6
0.240
MAK-UNK-5e88aa6a-8
0.240
AAR-POS-d2a4d1df-24
0.239
MAK-UNK-10dfa458-7
0.238
SAM-UNK-83e03154-1
0.236
MAK-UNK-e4a48a85-26
0.235
MAK-UNK-acefcb18-16
0.235
MAR-TRE-799db12b-89
0.235
MAK-UNK-af83ef51-11
0.233
AHN-SAT-02ef6d10-3
0.233
MAK-UNK-1cb0e944-12
0.232
UNK-CYC-68f84b31-47
0.231
MAK-UNK-acefcb18-28
0.229
UNK-UNK-2ede4078-79
0.226
UNK-UNK-2ede4078-86
0.225
MAK-UNK-acefcb18-26
0.225
UNK-CYC-68f84b31-27
0.225
ASH-UNK-40b46b30-8
0.224
MAK-UNK-acefcb18-19
0.222
MAK-UNK-e4a48a85-7
0.222
MAK-UNK-e4a48a85-16
0.220
WAR-XCH-b6889685-6
0.220
MAK-UNK-1cb0e944-9
0.219
DOU-UNK-b5326f8f-18
0.218
MAK-UNK-acefcb18-18
0.218
MAT-POS-162a9720-8
0.217
SAM-UNK-2684b532-10
0.217
BEN-DND-362d364a-11
0.217
MAK-UNK-31051d4e-2
0.217
UNK-CYC-68f84b31-73
0.217
MAK-UNK-e4a48a85-18
0.216
JOR-UNI-61e7b1d5-5
0.214
MAK-UNK-1cb0e944-4
0.214
MAK-UNK-5e88aa6a-7
0.214
WAR-XCH-bdd24732-47
0.214
SAD-SAT-7d5528d9-18
0.214
MAK-UNK-5e88aa6a-12
0.213
SAD-SAT-7d5528d9-7
0.213
UNK-CYC-68f84b31-55
0.213
DRA-CSI-0a78d9ba-13
0.212
MAK-UNK-af83ef51-10
0.212
JOR-UNI-61e7b1d5-6
0.212
NIY-UNK-62612a68-6
0.211
JOR-UNI-2fc98d0b-3
0.211
JAG-UCB-ef2c0e8e-8
0.211
UNK-CYC-68f84b31-71
0.211
JOR-UNI-61e7b1d5-24
0.211
UNK-UNK-2ede4078-45
0.210
MAR-TRE-799db12b-52
0.208
JOR-UNI-2fc98d0b-13
0.207
MAK-UNK-e4a48a85-19
0.207
JOR-UNI-61e7b1d5-25
0.207
MAK-UNK-1cb0e944-13
0.206
BEN-VAN-c986b20b-9
0.206
MAK-UNK-10dfa458-38
0.206
UNK-CYC-68f84b31-34
0.206
UNK-CYC-68f84b31-26
0.206
MAK-UNK-1cb0e944-2
0.205
MAK-UNK-5e88aa6a-4
0.205