Molecular Properties | |
SMILES: | COc1ccccc1CNC(=O)Cn1ccc2ccc(N3CCOCC3)nc21 |
MW: | 380.18 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 68.62 |
cLogP: | 2.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9248497698 |
MolPort: | MolPort-010-919-442 |
dyes5A(27)
MAR-TRE-3159af1a-95
0.727
MAR-TRE-3159af1a-88
0.648
MAR-TRE-3159af1a-82
0.637
MAR-TRE-3159af1a-28
0.625
MAR-TRE-3159af1a-71
0.614
MAR-TRE-3159af1a-17
0.565
MAR-TRE-4b834d9a-8
0.396
MAR-TRE-d0525fbf-43
0.392
MAR-TRE-04c86cea-25
0.378
MAR-TRE-4b834d9a-70
0.374
MAR-TRE-04c86cea-70
0.364
MAR-TRE-d0525fbf-38
0.360
MAR-TRE-04c86cea-12
0.354
MAR-TRE-b77b7921-19
0.353
MAR-TRE-6a44bbf2-67
0.305
SAD-SAT-65574d3f-8
0.293
MAR-TRE-6a44bbf2-20
0.293
AHN-SAT-de2502ba-12
0.293
MAR-TRE-f5c2d31c-66
0.292
FRA-BIO-8bf1eac9-10
0.288
MAR-TRE-d0525fbf-28
0.286
RAL-THA-2d450e86-39
0.282
MAR-TRE-d0525fbf-23
0.281
MAR-TRE-d0525fbf-12
0.280
MAR-TRE-6a44bbf2-34
0.277
MAR-TRE-74c6519b-77
0.275
MAR-TRE-f5c2d31c-57
0.274
MAR-TRE-f5c2d31c-54
0.274
MAR-TRE-f5c2d31c-74
0.270
MAR-TRE-f5c2d31c-85
0.269
MAR-TRE-d0525fbf-71
0.268
MAR-TRE-9c797165-83
0.267
MAR-TRE-9c797165-25
0.267
MAR-TRE-d0525fbf-3
0.267
MAR-TRE-4b834d9a-95
0.264
MAR-TRE-4b834d9a-55
0.264
MAR-TRE-67513f76-86
0.260
MAR-TRE-7f7bb9f0-1
0.258
MAR-TRE-9c797165-32
0.257
MAR-TRE-2fd8122f-35
0.256
MAR-TRE-7f7bb9f0-73
0.256
MAR-TRE-d0525fbf-69
0.254
MAR-LAB-ca4662a6-6
0.252
MAR-TRE-67513f76-60
0.252
MAR-TRE-4b834d9a-64
0.250
MAR-TRE-4b834d9a-99
0.250
MAR-TRE-74c6519b-78
0.250
MAR-TRE-f6f5f473-50
0.250
MAR-TRE-f6f5f473-73
0.250
MAR-TRE-f5c2d31c-83
0.250
MAR-TRE-f5c2d31c-33
0.250
MAR-TRE-f5c2d31c-99
0.250
MAR-TRE-f5c2d31c-27
0.248
MAR-TRE-4b834d9a-33
0.248
TAM-UNI-d1c3dd9f-21
0.248
MAR-TRE-9c797165-58
0.248
MAR-TRE-f5c2d31c-96
0.246
DAR-DIA-8e329c92-8
0.244
MAR-TRE-4b834d9a-76
0.244
AAR-UNI-c25c2f1e-34
0.244
MAR-TRE-3159af1a-5
0.243
MAR-TRE-f5c2d31c-19
0.243
MAR-TRE-799db12b-64
0.243
MAR-TRE-d0525fbf-99
0.242
MAR-TRE-74c6519b-86
0.242
MAR-TRE-04c86cea-69
0.241
MAR-TRE-fd17a9b8-20
0.241
MAR-TRE-4b834d9a-3
0.241
MAR-TRE-d0525fbf-2
0.240
MAR-TRE-f5c2d31c-29
0.239
MAR-TRE-f5c2d31c-9
0.239
DUN-NEW-f8ce3686-13
0.239
MAR-TRE-d0525fbf-44
0.238
MAR-TRE-3e4e6814-19
0.238
MAR-TRE-74c6519b-45
0.238
MAR-TRE-f6f5f473-26
0.238
MAR-TRE-9c797165-69
0.238
MAR-TRE-74c6519b-10
0.237
JUL-TUD-06b2044f-152
0.237
MAR-TRE-f5c2d31c-11
0.237
MAR-TRE-f5c2d31c-22
0.237
MAR-TRE-f5c2d31c-28
0.237
MAR-TRE-fd17a9b8-36
0.237
MAR-TRE-f5c2d31c-52
0.237
SAD-SAT-135344c3-1
0.237
MAR-TRE-04c86cea-20
0.236
MAR-TRE-4b834d9a-53
0.236
MAR-TRE-04c86cea-58
0.236
MAR-TRE-2fd8122f-25
0.236
MAR-TRE-4b834d9a-54
0.235
MAR-TRE-f6f5f473-68
0.235
MAR-TRE-f5c2d31c-18
0.235
MAR-TRE-f5c2d31c-42
0.235
MAR-TRE-fd17a9b8-72
0.235
MAR-TRE-74c6519b-16
0.234
SAD-SAT-2fd372d1-10
0.234
MAR-TRE-6a44bbf2-42
0.234
MAR-TRE-f5c2d31c-70
0.233
MAR-TRE-fd17a9b8-49
0.233
LON-WEI-1908424e-1
0.233