Molecular Properties | |
SMILES: | COc1ccc(CNC(=O)Cn2ccc3ccc(N4CCOCC4)nc32)cc1OC |
MW: | 410.2 |
Fraction sp3: | 0.36 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 77.85 |
cLogP: | 2.21 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7165176206 |
dyes5A(27)
MAR-TRE-3159af1a-82
0.713
MAR-TRE-3159af1a-95
0.652
MAR-TRE-3159af1a-52
0.648
MAR-TRE-3159af1a-71
0.614
MAR-TRE-3159af1a-28
0.589
MAR-TRE-3159af1a-17
0.565
MAR-TRE-74c6519b-45
0.373
MAR-TRE-b77b7921-48
0.366
MAR-TRE-d0525fbf-70
0.363
MAR-TRE-6a44bbf2-67
0.348
MAR-TRE-74c6519b-67
0.295
MAR-TRE-74c6519b-82
0.295
ALP-POS-182116e9-1
0.287
MAR-TRE-2fd8122f-35
0.278
MAR-TRE-4b834d9a-68
0.277
MAR-TRE-4b834d9a-3
0.274
MAR-TRE-fd17a9b8-72
0.268
MAR-TRE-04c86cea-20
0.266
MAR-TRE-e86a56b5-91
0.266
MAR-TRE-8190bb11-49
0.265
MAT-POS-c79fcd02-1
0.263
MAR-TRE-36bf7dba-44
0.260
MAR-TRE-74c6519b-46
0.260
MAR-TRE-6a44bbf2-42
0.257
ALP-POS-c0ee8219-5
0.257
MAR-TRE-fd17a9b8-85
0.257
MAR-TRE-f5c2d31c-96
0.257
MAR-TRE-04c86cea-58
0.256
MAR-TRE-d0525fbf-22
0.254
PAT-GYR-359dbb24-3
0.252
MAR-TRE-4b834d9a-39
0.252
MAR-TRE-f5c2d31c-57
0.252
MAR-TRE-f5c2d31c-54
0.252
MAR-TRE-fd17a9b8-97
0.252
MAR-TRE-04c86cea-56
0.252
AAR-POS-8a4e0f60-10
0.252
MAR-TRE-04c86cea-33
0.252
MAR-TRE-b77b7921-10
0.252
MAR-TRE-d0525fbf-68
0.250
JUL-TUD-06b2044f-145
0.250
MAR-TRE-f5c2d31c-99
0.250
MAR-TRE-f5c2d31c-85
0.248
MAR-TRE-f5c2d31c-28
0.248
MAR-TRE-f5c2d31c-66
0.248
MAR-TRE-fd17a9b8-36
0.248
MAR-TRE-f5c2d31c-74
0.248
BAR-COM-0f94fc3d-33
0.248
JUL-TUD-06b2044f-153
0.248
PAT-GYR-359dbb24-4
0.248
MAR-TRE-fd17a9b8-40
0.246
GAB-REV-4a4e2ff3-8
0.246
LON-WEI-1908424e-1
0.245
MAR-TRE-d3c2bf0e-69
0.245
MAR-TRE-d0525fbf-6
0.244
MAR-TRE-3e4e6814-2
0.244
MAR-TRE-f5c2d31c-70
0.244
MAR-TRE-fd17a9b8-49
0.244
MAR-TRE-b77b7921-2
0.244
MAR-TRE-4b834d9a-94
0.244
MAR-TRE-f5c2d31c-19
0.243
JOH-MR_-42fa5481-14
0.243
PAT-GYR-de8eec61-5
0.243
MAR-TRE-9c797165-83
0.243
MAR-TRE-d0525fbf-5
0.242
MAR-TRE-d0525fbf-8
0.242
MAR-TRE-2fd8122f-74
0.242
MAR-TRE-f5c2d31c-39
0.242
JUL-TUD-06b2044f-146
0.241
MAR-TRE-f5c2d31c-83
0.240
MAR-TRE-f5c2d31c-33
0.240
MAR-TRE-f5c2d31c-63
0.240
MAR-TRE-d0525fbf-39
0.240
MAR-TRE-4b834d9a-58
0.240
AAR-POS-8a4e0f60-6
0.239
MAR-TRE-f5c2d31c-9
0.239
MAR-TRE-f5c2d31c-29
0.239
MAR-TRE-f5c2d31c-37
0.239
BAR-COM-0f94fc3d-60
0.239
MAR-TRE-d0525fbf-24
0.238
MAR-TRE-9c797165-69
0.238
MAR-TRE-f5c2d31c-11
0.237
MAR-TRE-f5c2d31c-22
0.237
WIL-UNI-d4749f31-44
0.237
JUL-TUD-06b2044f-152
0.237
MAR-TRE-f5c2d31c-27
0.237
MAR-TRE-f5c2d31c-52
0.237
KAD-UNI-cb0f2bbc-5
0.236
MAT-POS-24589f88-7
0.236
MAR-TRE-6a44bbf2-62
0.236
JUL-TUD-06b2044f-138
0.236
MAR-TRE-f5c2d31c-18
0.235
MAR-TRE-67513f76-86
0.235
MAR-TRE-f5c2d31c-42
0.235
MAR-TRE-f5c2d31c-7
0.235
DAR-DIA-8e329c92-8
0.234
AAR-UNI-c25c2f1e-34
0.233
MAR-TRE-d0525fbf-79
0.233
MAR-TRE-3e4e6814-21
0.233
MAR-TRE-e86a56b5-17
0.233
KAD-UNI-cb0f2bbc-9
0.233