Molecular Properties | |
SMILES: | O=C(NCCNc1cc(N2CCOCC2)ncn1)c1ccc(Br)o1 |
MW: | 395.06 |
Fraction sp3: | 0.4 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 92.52 |
cLogP: | 1.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4544092391 |
MolPort: | MolPort-023-314-688 |
Aliphatic long chain
Filter9_metal
aryl bromide
MAR-TRE-fd17a9b8-72
0.634
MAR-TRE-f5c2d31c-96
0.558
MAR-TRE-f5c2d31c-38
0.552
MAR-TRE-f5c2d31c-81
0.552
MAR-TRE-f5c2d31c-18
0.544
MAR-TRE-f5c2d31c-99
0.539
MAR-TRE-f5c2d31c-52
0.533
MAR-TRE-f5c2d31c-74
0.533
MAR-TRE-f5c2d31c-20
0.527
MAR-TRE-f5c2d31c-36
0.527
MAR-TRE-f5c2d31c-42
0.527
MAR-TRE-f5c2d31c-63
0.527
MAR-TRE-fd17a9b8-49
0.522
MAR-TRE-f5c2d31c-70
0.522
MAR-TRE-f5c2d31c-85
0.521
MAR-TRE-f5c2d31c-13
0.516
MAR-TRE-f5c2d31c-35
0.516
MAR-TRE-f5c2d31c-83
0.511
MAR-TRE-6a44bbf2-67
0.365
MAR-TRE-f5c2d31c-24
0.337
MAR-TRE-dab8f6ea-48
0.333
MAR-TRE-f5c2d31c-37
0.333
MAR-TRE-f5c2d31c-9
0.330
MAR-TRE-f5c2d31c-29
0.330
MAR-TRE-f5c2d31c-27
0.327
MAR-TRE-f5c2d31c-19
0.324
MAR-TRE-f5c2d31c-57
0.320
MAR-TRE-f5c2d31c-39
0.318
MAR-TRE-f5c2d31c-54
0.318
MAR-TRE-f5c2d31c-34
0.316
MAR-TRE-f5c2d31c-33
0.315
MAR-TRE-f5c2d31c-22
0.314
MAR-TRE-f5c2d31c-28
0.314
MAR-TRE-f5c2d31c-11
0.314
MAR-TRE-f5c2d31c-66
0.314
MAR-TRE-f5c2d31c-7
0.314
MAR-TRE-f5c2d31c-12
0.304
MAR-TRE-f5c2d31c-8
0.301
MAR-TRE-f5c2d31c-43
0.301
MAR-TRE-f5c2d31c-25
0.297
MAR-TRE-9c797165-83
0.290
MAR-LAB-ca4662a6-5
0.289
MAR-TRE-67513f76-86
0.283
MAR-TRE-9c797165-58
0.281
WIL-NOV-649f4ed0-2
0.273
MAR-TRE-9c797165-69
0.272
MAR-TRE-4b834d9a-64
0.271
MAR-TRE-c317dd82-69
0.267
MAR-TRE-c317dd82-22
0.262
WIL-NOV-649f4ed0-5
0.260
MAR-TRE-3159af1a-82
0.259
MAR-TRE-3159af1a-88
0.257
JOH-UNI-abdb2f0c-3
0.255
JOH-UNI-522b0723-10
0.255
WIL-NOV-649f4ed0-1
0.255
MAR-TRE-6a44bbf2-42
0.253
MAR-TRE-c317dd82-81
0.250
MAR-TRE-67513f76-60
0.248
AHN-SAT-de2502ba-13
0.247
MAR-TRE-6a44bbf2-83
0.247
MAR-TRE-fd17a9b8-68
0.245
MAR-TRE-dab8f6ea-29
0.245
ALP-POS-780445ae-1
0.244
BAR-COM-0f94fc3d-33
0.243
MAR-TRE-3159af1a-95
0.241
MAR-TRE-3159af1a-71
0.241
MAR-TRE-fd17a9b8-7
0.240
MAR-TRE-9c797165-32
0.240
MAR-TRE-dab8f6ea-39
0.240
MAR-TRE-8190bb11-7
0.240
MAR-TRE-3159af1a-28
0.239
MAR-TRE-3159af1a-17
0.238
SAD-SAT-65574d3f-8
0.237
AHN-SAT-de2502ba-12
0.237
AHN-SAT-de2502ba-4
0.237
MAR-TRE-6a44bbf2-20
0.237
MAR-TRE-6a44bbf2-100
0.237
MAR-TRE-dab8f6ea-19
0.236
UNK-CYC-68f84b31-18
0.236
BEN-DND-93268d01-10
0.234
PAT-GYR-359dbb24-2
0.234
MAK-UNK-be5ffcbc-7
0.234
MAR-TRE-a9136c7b-38
0.233
ALP-POS-d0876c20-12
0.233
JOR-UNI-61e7b1d5-17
0.231
MAR-TRE-fd17a9b8-62
0.231
JOH-UNI-abdb2f0c-2
0.230
MAR-TRE-2fd8122f-35
0.230
NIM-UNI-310206f0-7
0.229
PET-SGC-cb83a00c-1
0.229
MAR-TRE-2fd8122f-89
0.229
MAR-TRE-c8530538-38
0.229
MAR-TRE-c317dd82-13
0.229
MAR-TRE-7f7bb9f0-94
0.227
AHN-SAT-de2502ba-16
0.227
JOH-UNI-abdb2f0c-1
0.226
MAR-TRE-799db12b-64
0.226
MAR-TRE-0fda4e82-37
0.226
AAR-POS-d2a4d1df-21
0.226
MAR-TRE-a9136c7b-11
0.225