Molecular Properties | |
SMILES: | O=C(NCCNc1cc(N2CCOCC2)ncn1)Nc1ccc(Cl)cc1 |
MW: | 376.14 |
Fraction sp3: | 0.35 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 91.41 |
cLogP: | 2.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1460666460 |
MolPort: | MolPort-023-314-962 |
Aliphatic long chain
MAR-TRE-f5c2d31c-38
0.813
MAR-TRE-f5c2d31c-96
0.800
MAR-TRE-f5c2d31c-13
0.753
MAR-TRE-f5c2d31c-36
0.750
MAR-TRE-f5c2d31c-42
0.728
MAR-TRE-f5c2d31c-20
0.707
MAR-TRE-f5c2d31c-99
0.704
MAR-TRE-fd17a9b8-49
0.699
MAR-TRE-f5c2d31c-70
0.699
MAR-TRE-f5c2d31c-18
0.687
MAR-TRE-f5c2d31c-63
0.663
MAR-TRE-f5c2d31c-83
0.663
MAR-TRE-f5c2d31c-74
0.655
MAR-TRE-f5c2d31c-35
0.632
MAR-TRE-f5c2d31c-52
0.616
MAR-TRE-f5c2d31c-85
0.600
MAR-TRE-fd17a9b8-85
0.552
MAR-TRE-f5c2d31c-11
0.479
MAR-TRE-f5c2d31c-19
0.478
MAR-TRE-f5c2d31c-28
0.463
MAR-TRE-f5c2d31c-9
0.453
MAR-TRE-f5c2d31c-7
0.452
MAR-TRE-f5c2d31c-37
0.446
MAR-TRE-f5c2d31c-33
0.444
MAR-TRE-f5c2d31c-39
0.434
MAR-TRE-f5c2d31c-27
0.433
MAR-TRE-f5c2d31c-29
0.408
MAR-TRE-f5c2d31c-22
0.404
MAR-TRE-f5c2d31c-57
0.398
MAR-TRE-f5c2d31c-54
0.392
MAR-TRE-f5c2d31c-66
0.390
MAR-TRE-6a44bbf2-67
0.345
GAB-FAC-880f6604-1
0.343
MAR-TRE-dab8f6ea-48
0.343
MAR-TRE-fd17a9b8-72
0.337
MAR-TRE-f5c2d31c-24
0.320
JOH-UNI-522b0723-10
0.316
MAR-TRE-9c797165-83
0.315
AAR-UNI-c25c2f1e-51
0.315
MAR-TRE-f5c2d31c-8
0.311
MAR-TRE-67513f76-86
0.308
MAR-TRE-f5c2d31c-34
0.300
MAR-TRE-9c797165-69
0.297
MAR-TRE-67513f76-60
0.296
MAR-TRE-f5c2d31c-25
0.294
MAK-UNK-0cb6a3ad-11
0.293
LON-WEI-120e5cf5-20
0.292
MAR-TRE-9c797165-58
0.292
MAR-TRE-f5c2d31c-12
0.288
AAR-UNI-c25c2f1e-78
0.287
BAR-COM-4e090d3a-58
0.287
MAR-TRE-f5c2d31c-43
0.286
MAR-TRE-4b834d9a-64
0.281
CAS-DEP-751a2458-4
0.280
MAR-TRE-6a44bbf2-42
0.276
MAR-TRE-8190bb11-7
0.276
MAR-TRE-9c797165-32
0.275
MAR-TRE-3e4e6814-16
0.271
AHN-SAT-de2502ba-13
0.271
MAR-TRE-6a44bbf2-83
0.271
MAR-TRE-e82e6c98-50
0.271
MAR-TRE-a3327163-48
0.271
MAR-TRE-9c797165-3
0.270
JOH-UNI-abdb2f0c-3
0.266
MAR-TRE-dab8f6ea-39
0.262
JOH-UNI-abdb2f0c-2
0.261
AAR-UNI-c25c2f1e-46
0.261
MAR-TRE-6a44bbf2-100
0.260
AHN-SAT-de2502ba-4
0.260
GIA-UNK-3f36037a-2
0.258
LYN-UNI-7bb260d6-10
0.257
ROB-UNI-b2e39629-11
0.257
MAR-TRE-fd17a9b8-97
0.257
MAR-TRE-d0525fbf-99
0.257
ALP-POS-a3de0cb1-12
0.256
NIM-UNI-310206f0-7
0.253
BAR-COM-0f94fc3d-33
0.252
STU-CHA-6cae54d3-1
0.252
LUI-IND-a1be81af-2
0.250
JOR-UNI-61e7b1d5-4
0.248
JOH-UNI-abdb2f0c-1
0.248
MAR-TRE-6c5ef77a-74
0.248
MAK-UNK-5d2caa6f-16
0.247
NIR-WEI-dcc3321b-2
0.246
KAD-UNI-cb0f2bbc-18
0.246
MAT-POS-61f37a1a-9
0.246
MAR-TRE-dab8f6ea-19
0.245
WIL-NOV-649f4ed0-2
0.245
AAR-UNI-c25c2f1e-97
0.245
MAR-TRE-6a44bbf2-47
0.245
SAD-SAT-f25ee457-3
0.243
SAD-SAT-f0a2747f-7
0.243
FAR-UNI-736b943a-3
0.242
BAR-COM-4e090d3a-54
0.241
MAK-UNK-10799360-12
0.241
JUL-TUD-06b2044f-151
0.241
DAR-DIA-fb20be43-17
0.241
MAR-TRE-7f7bb9f0-52
0.241
SAD-SAT-135344c3-1
0.241
JOR-UNI-61e7b1d5-17
0.240