Molecular Properties | |
SMILES: | CCNc1ccc(C)cc1CN1CCC(O)CC1 |
MW: | 248.37 |
Fraction sp3: | 0.6 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 35.5 |
cLogP: | 2.38352 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-SGC-39d74636-1
0.433
PET-SGC-39d74636-2
0.429
JAN-UNI-2e92c4b1-3
0.429
MAR-UNI-9d4da90d-5
0.424
KIM-UNI-7d12df64-1
0.394
JAN-GHE-fd8d85a5-10
0.394
KIM-UNI-7d12df64-2
0.378
CES-WAB-18e74d70-2
0.375
SAM-UNK-2684b532-8
0.370
JAN-GHE-fd8d85a5-9
0.368
MAK-UNK-acefcb18-25
0.366
MAK-UNK-e4a48a85-3
0.366
SAM-UNK-2684b532-9
0.361
DAR-DIA-fb20be43-3
0.354
TRY-UNI-9f475305-1
0.344
MAK-UNK-e4a48a85-6
0.333
SEB-EST-28768d06-1
0.330
MAR-UNI-9d4da90d-6
0.329
AAR-POS-d2a4d1df-7
0.328
MAK-UNK-e4a48a85-18
0.322
MAK-UNK-e4a48a85-9
0.319
MAK-UNK-acefcb18-24
0.318
DUN-NEW-f8ce3686-11
0.318
MAK-UNK-31051d4e-3
0.314
TRY-UNI-1fd04853-4
0.312
MAK-UNK-acefcb18-23
0.310
MAK-UNK-acefcb18-27
0.310
MAK-UNK-acefcb18-22
0.306
MAK-UNK-5e88aa6a-5
0.305
MAK-UNK-1cb0e944-3
0.305
MAK-UNK-e4a48a85-11
0.304
MAK-UNK-1cb0e944-6
0.304
MAK-UNK-5e88aa6a-8
0.304
SAD-SAT-f25ee457-4
0.303
MAK-UNK-31051d4e-1
0.302
SAM-UNK-903735bd-1
0.302
MAK-UNK-e4a48a85-4
0.299
SEL-UNI-cd366922-6
0.299
MAK-UNK-acefcb18-21
0.293
MAK-UNK-1cb0e944-12
0.293
SAM-UNK-83e03154-1
0.292
MAK-UNK-acefcb18-20
0.292
MAK-UNK-5e88aa6a-7
0.286
MAK-UNK-1cb0e944-4
0.286
MAK-UNK-5e88aa6a-10
0.284
MAK-UNK-1cb0e944-5
0.284
MAK-UNK-5e88aa6a-12
0.271
MAK-UNK-31051d4e-2
0.270
JAN-GHE-fd8d85a5-8
0.268
MAK-UNK-10dfa458-7
0.267
MAK-UNK-e4a48a85-17
0.267
MAK-UNK-ec98eaf6-21
0.267
MAK-UNK-e4a48a85-26
0.264
JOO-PER-74f994a9-1
0.264
ASH-UNK-40b46b30-8
0.264
KIM-UNI-7d12df64-3
0.263
MAK-UNK-1cb0e944-13
0.259
SAM-UNK-2684b532-10
0.256
DOU-UNK-b5326f8f-18
0.255
MAK-UNK-e4a48a85-10
0.255
MAK-UNK-acefcb18-26
0.250
MAK-UNK-acefcb18-16
0.250
JAN-GHE-fd8d85a5-7
0.250
MAK-UNK-acefcb18-17
0.247
MAT-POS-162a9720-8
0.247
JOR-UNI-61e7b1d5-6
0.245
MAK-UNK-acefcb18-28
0.242
MAK-UNK-1cb0e944-2
0.240
MAK-UNK-5e88aa6a-4
0.240
DAV-CRI-d1e0885a-2
0.239
JOR-UNI-61e7b1d5-25
0.238
MAK-UNK-e4a48a85-19
0.238
MAK-UNK-af83ef51-10
0.238
MAK-UNK-e4a48a85-5
0.238
MAK-UNK-af83ef51-27
0.237
MAK-UNK-acefcb18-19
0.237
MIH-UNI-e573136b-7
0.235
MAK-UNK-af83ef51-22
0.235
MAK-UNK-e4a48a85-7
0.234
TAM-UNI-d1c3dd9f-18
0.233
MAK-UNK-10dfa458-19
0.232
JAN-GHE-fd8d85a5-1
0.232
NIY-UNK-62612a68-6
0.231
MAK-UNK-1cb0e944-9
0.231
MAK-UNK-10dfa458-13
0.230
SAD-SAT-7d5528d9-13
0.228
MAK-UNK-10dfa458-38
0.228
MAK-UNK-1cb0e944-10
0.225
WAR-XCH-bdd24732-47
0.225
AAR-POS-d2a4d1df-24
0.224
HAR-NEW-e34cb1ae-2
0.223
SAD-SAT-7d5528d9-7
0.223
MAK-UNK-5e88aa6a-11
0.222
PAU-UNI-52c0427f-1
0.221
MAR-TRE-799db12b-89
0.221
DAR-DIA-fb20be43-4
0.221
BRU-LEF-ae0885ba-1
0.221
ROB-UNI-b2e39629-1
0.221
ANT-DIA-b7f58f21-8
0.221
GIA-UNK-595fac82-5
0.221