Molecular Properties | |
SMILES: | COc1ccc(CN2CCC(C(=O)NCCN3CCOCC3)CC2)c(OC)c1 |
MW: | 391.25 |
Fraction sp3: | 0.67 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 63.27 |
cLogP: | 1.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9319499188 |
MolPort: | MolPort-002-209-069 |
MAR-LAB-ca4662a6-5
0.364
MAR-TRE-3159af1a-95
0.358
STU-CHA-7b3b91d5-1
0.321
MAR-TRE-fd17a9b8-7
0.304
MAR-TRE-d0525fbf-23
0.303
DAR-DIA-fb20be43-18
0.303
DAR-DIA-43a5904b-16
0.303
SEA-TRI-67e8f1c7-1
0.298
DRA-CSI-0a78d9ba-16
0.294
LON-WEI-adc59df6-25
0.293
MAR-TRE-3e4e6814-25
0.292
DRA-CSI-0a78d9ba-10
0.290
MAR-TRE-fd17a9b8-2
0.290
DRA-CSI-0a78d9ba-1
0.288
SAD-SAT-f25ee457-4
0.287
DRA-CSI-0a78d9ba-15
0.287
DRA-CSI-0a78d9ba-6
0.287
DRA-CSI-0a78d9ba-5
0.287
ALP-POS-780445ae-1
0.287
DRA-CSI-0a78d9ba-2
0.286
ALP-POS-02c6a514-55
0.286
DRA-CSI-0a78d9ba-9
0.285
MAR-TRE-87acfbcc-94
0.284
MAR-TRE-fd17a9b8-44
0.282
ALP-POS-88a7a97e-47
0.281
SAD-SAT-29425be4-9
0.280
STU-CHA-6cae54d3-1
0.280
ROM-UNK-ef52a3c9-3
0.280
DRA-CSI-0a78d9ba-3
0.279
DRA-CSI-0a78d9ba-4
0.279
MAK-UNK-5d2caa6f-2
0.279
BAR-COM-4e090d3a-54
0.278
DRA-CSI-0a78d9ba-7
0.278
DRA-CSI-0a78d9ba-8
0.276
MAK-UNK-69bf97dd-6
0.275
MAR-TRE-74c6519b-77
0.274
MAR-TRE-67513f76-19
0.273
LON-WEI-4d77710c-16
0.273
MAT-POS-2492181e-11
0.273
MAT-POS-b5746674-109
0.273
LON-WEI-5e7d1b3e-16
0.273
MAT-POS-b5746674-64
0.273
SAD-SAT-29425be4-14
0.273
MAR-TRE-fd17a9b8-97
0.272
SAD-SAT-29425be4-3
0.272
MAK-UNK-acefcb18-29
0.271
MAR-TRE-7f7bb9f0-71
0.270
MAR-TRE-3159af1a-1
0.270
ALP-POS-780445ae-2
0.269
MAR-TRE-d0525fbf-87
0.268
MAR-TRE-d0525fbf-71
0.267
MAK-UNK-69bf97dd-3
0.266
MAR-TRE-3159af1a-21
0.265
SAD-SAT-29425be4-15
0.265
AAR-POS-0daf6b7e-28
0.264
MAK-UNK-be5ffcbc-4
0.264
STU-CHA-6d5cfe2b-1
0.264
MAR-TRE-fd17a9b8-92
0.263
MAR-TRE-3e4e6814-51
0.263
SAD-SAT-29425be4-6
0.262
MAR-TRE-3e4e6814-71
0.261
DRA-CSI-3ab97369-2
0.261
SAD-SAT-7d5528d9-2
0.259
DAR-DIA-fb20be43-16
0.259
TAM-UNI-d1c3dd9f-1
0.259
MAR-TRE-3159af1a-75
0.259
MAR-TRE-a78003aa-45
0.257
UNK-UNK-2ede4078-22
0.257
MAK-UNK-10799360-23
0.256
DRA-CSI-0a78d9ba-12
0.256
MAR-TRE-6a44bbf2-42
0.255
SAD-SAT-7d5528d9-7
0.255
MAR-TRE-c317dd82-27
0.252
MAR-TRE-d0525fbf-88
0.252
MAK-UNK-5d2caa6f-23
0.252
DRA-CSI-0a78d9ba-11
0.252
DAR-DIA-fb20be43-5
0.250
STU-CHA-128b80be-2
0.250
MAR-TRE-a9136c7b-11
0.250
MAR-TRE-dab8f6ea-45
0.250
SAD-SAT-7d5528d9-1
0.250
MAR-TRE-3159af1a-82
0.250
MAR-TRE-3159af1a-88
0.248
MAR-TRE-3159af1a-99
0.248
SIM-DEM-2843056b-1
0.248
DRR-IMP-38dce17f-8
0.248
MAR-TRE-fd17a9b8-68
0.248
SAD-SAT-65574d3f-10
0.247
JAG-SYN-9c2cd0bd-9
0.247
SAD-SAT-24589cd1-6
0.246
JAN-GHE-fd8d85a5-12
0.245
MAR-TRE-c317dd82-69
0.245
MAR-TRE-d3c2bf0e-47
0.244
CHO-MSK-6e55470f-1
0.244
SEA-TRI-fac72a44-1
0.244
MAT-POS-500ca5bf-1
0.244
MAR-TRE-3159af1a-44
0.244
MAR-TRE-2fd8122f-35
0.243
SAD-SAT-7d5528d9-8
0.243
TAM-UNI-d1c3dd9f-12
0.243