Molecular Properties | |
SMILES: | Cc1nc(NCCNC(=O)c2ccc(Br)o2)cc(N2CCOCC2)n1 |
MW: | 409.07 |
Fraction sp3: | 0.44 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 92.52 |
cLogP: | 1.82 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8545270849 |
MolPort: | MolPort-019-798-105 |
Aliphatic long chain
Filter9_metal
aryl bromide
MAR-TRE-fd17a9b8-85
0.634
MAR-TRE-f5c2d31c-37
0.571
MAR-TRE-f5c2d31c-9
0.557
MAR-TRE-f5c2d31c-19
0.552
MAR-TRE-f5c2d31c-57
0.545
MAR-TRE-f5c2d31c-7
0.540
MAR-TRE-f5c2d31c-29
0.539
MAR-TRE-f5c2d31c-34
0.536
MAR-TRE-f5c2d31c-11
0.533
MAR-TRE-f5c2d31c-66
0.533
MAR-TRE-f5c2d31c-27
0.533
MAR-TRE-f5c2d31c-22
0.533
MAR-TRE-f5c2d31c-28
0.533
MAR-TRE-f5c2d31c-39
0.533
MAR-TRE-f5c2d31c-54
0.533
MAR-TRE-f5c2d31c-25
0.523
MAR-TRE-f5c2d31c-43
0.523
MAR-TRE-f5c2d31c-12
0.511
MAR-TRE-f5c2d31c-33
0.511
MAR-TRE-f5c2d31c-8
0.506
MAR-TRE-f5c2d31c-42
0.363
MAR-TRE-f5c2d31c-96
0.354
MAR-TRE-f5c2d31c-18
0.350
MAR-TRE-f5c2d31c-99
0.343
MAR-TRE-f5c2d31c-35
0.343
MAR-TRE-f5c2d31c-52
0.340
MAR-TRE-f5c2d31c-74
0.340
MAR-TRE-f5c2d31c-81
0.337
MAR-TRE-f5c2d31c-85
0.336
MAR-TRE-fd17a9b8-49
0.333
MAR-TRE-6a44bbf2-67
0.333
MAR-TRE-f5c2d31c-70
0.333
MAR-TRE-f5c2d31c-13
0.330
MAR-TRE-f5c2d31c-63
0.327
MAR-TRE-f5c2d31c-79
0.327
MAR-TRE-f5c2d31c-36
0.324
MAR-TRE-f5c2d31c-38
0.324
MAR-TRE-f5c2d31c-83
0.315
MAR-TRE-f5c2d31c-20
0.311
MAR-LAB-ca4662a6-5
0.303
MAR-TRE-3159af1a-71
0.276
AHN-SAT-de2502ba-13
0.274
MAR-TRE-6a44bbf2-83
0.274
WIL-NOV-649f4ed0-2
0.273
MAR-TRE-3159af1a-82
0.270
MAR-TRE-3159af1a-88
0.268
MAR-TRE-dab8f6ea-42
0.265
MAR-TRE-6a44bbf2-42
0.265
MAR-TRE-9c797165-83
0.263
MAR-TRE-3159af1a-17
0.263
MAR-TRE-67513f76-86
0.255
BAR-COM-0f94fc3d-33
0.255
MAR-TRE-dab8f6ea-33
0.255
MAR-TRE-3159af1a-95
0.252
MAR-TRE-3159af1a-28
0.250
AHN-SAT-de2502ba-9
0.250
UNK-CYC-68f84b31-18
0.248
WIL-NOV-649f4ed0-5
0.248
PAT-GYR-359dbb24-3
0.247
PAT-GYR-359dbb24-2
0.247
MAR-TRE-4b834d9a-64
0.245
MAR-TRE-9c797165-69
0.245
ALP-POS-780445ae-1
0.244
BOG-INS-bdba9cfb-1
0.243
MAR-TRE-2fd8122f-23
0.243
MAR-TRE-c317dd82-69
0.243
WIL-NOV-649f4ed0-1
0.243
JOH-UNI-522b0723-10
0.243
MAR-TRE-9c797165-58
0.242
ROB-UNI-b2e39629-12
0.241
ALP-POS-305f6ec3-22
0.241
MAR-TRE-2fd8122f-89
0.240
PAT-GYR-359dbb24-1
0.239
AAR-POS-d2a4d1df-21
0.239
MAR-TRE-f5c2d31c-24
0.239
MAR-TRE-c317dd82-22
0.239
AHN-SAT-de2502ba-4
0.237
MAR-TRE-6a44bbf2-100
0.237
MAR-TRE-6a44bbf2-20
0.237
SAD-SAT-65574d3f-8
0.237
AHN-SAT-de2502ba-12
0.237
SAD-SAT-f25ee457-9
0.236
ALP-POS-95f71980-19
0.235
MAR-TRE-67513f76-60
0.235
MAR-TRE-3159af1a-52
0.235
BEN-DND-93268d01-10
0.234
ALP-POS-d0876c20-12
0.233
MAR-TRE-fd17a9b8-68
0.232
MAR-TRE-fd17a9b8-36
0.232
KEI-TRE-d5e2018a-13
0.231
MAR-TRE-2fd8122f-35
0.230
PAT-GYR-359dbb24-4
0.229
NIM-UNI-310206f0-7
0.229
MAR-TRE-9c797165-32
0.229
MAR-TRE-c8530538-38
0.229
MAR-TRE-fd17a9b8-7
0.229
BAR-COM-4e090d3a-58
0.229
MAR-TRE-8190bb11-7
0.228
MAK-UNK-3e0761f8-10
0.228
ALP-POS-88a7a97e-47
0.228