Molecular Properties | |
SMILES: | O=C(NCCNc1cc(N2CCOCC2)ncn1)Nc1ccccc1Cl |
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-1181046269 |
MolPort: | MolPort-023-314-836 |
Aliphatic long chain
MAR-TRE-f5c2d31c-35
0.747
MAR-TRE-f5c2d31c-52
0.671
MAR-TRE-f5c2d31c-85
0.670
MAR-TRE-f5c2d31c-42
0.663
MAR-TRE-f5c2d31c-99
0.659
MAR-TRE-f5c2d31c-81
0.655
MAR-TRE-f5c2d31c-36
0.644
MAR-TRE-f5c2d31c-96
0.643
MAR-TRE-f5c2d31c-13
0.629
MAR-TRE-f5c2d31c-18
0.625
MAR-TRE-f5c2d31c-38
0.616
MAR-TRE-f5c2d31c-20
0.607
MAR-TRE-f5c2d31c-83
0.604
MAR-TRE-f5c2d31c-63
0.604
MAR-TRE-f5c2d31c-70
0.600
MAR-TRE-fd17a9b8-49
0.600
MAR-TRE-fd17a9b8-85
0.533
MAR-TRE-f5c2d31c-57
0.505
MAR-TRE-f5c2d31c-22
0.495
MAR-TRE-f5c2d31c-66
0.495
MAR-TRE-f5c2d31c-29
0.454
MAR-TRE-f5c2d31c-54
0.450
MAR-TRE-f5c2d31c-27
0.449
MAR-TRE-f5c2d31c-19
0.433
MAR-TRE-f5c2d31c-11
0.420
MAR-TRE-f5c2d31c-37
0.417
MAR-TRE-f5c2d31c-9
0.410
MAR-TRE-f5c2d31c-7
0.408
MAR-TRE-f5c2d31c-33
0.404
MAR-TRE-f5c2d31c-39
0.394
MAR-TRE-f5c2d31c-28
0.392
MAR-TRE-dab8f6ea-48
0.388
MAR-TRE-6a44bbf2-67
0.348
MAR-TRE-fd17a9b8-72
0.340
MAR-TRE-9c797165-83
0.319
MAR-TRE-67513f76-86
0.312
JOH-UNI-522b0723-10
0.307
MAR-TRE-f5c2d31c-34
0.304
MAR-TRE-f5c2d31c-43
0.302
MAR-TRE-f5c2d31c-24
0.299
MAR-TRE-f5c2d31c-12
0.292
SAD-SAT-65574d3f-8
0.292
AHN-SAT-de2502ba-12
0.292
MAR-TRE-6a44bbf2-20
0.292
MAR-TRE-f5c2d31c-8
0.290
MAR-TRE-f5c2d31c-25
0.286
MAT-POS-2492181e-11
0.284
LON-WEI-4d77710c-16
0.284
LON-WEI-5e7d1b3e-16
0.284
MAT-POS-b5746674-109
0.284
MAR-TRE-9c797165-58
0.283
TAM-UNI-d1c3dd9f-21
0.282
AHN-SAT-de2502ba-16
0.281
ALP-POS-a3de0cb1-12
0.281
MAR-TRE-9c797165-32
0.279
ANT-DIA-b7f58f21-9
0.276
MAR-TRE-6a44bbf2-83
0.276
AHN-SAT-de2502ba-13
0.276
MAR-TRE-f5c2d31c-67
0.276
MAR-TRE-9c797165-69
0.274
BAR-COM-4e090d3a-17
0.273
MAR-TRE-4b834d9a-64
0.273
MAR-TRE-3159af1a-82
0.272
MAR-TRE-3159af1a-52
0.270
BAR-COM-0f94fc3d-33
0.269
MAR-TRE-6a44bbf2-42
0.267
AHN-SAT-de2502ba-9
0.265
MAR-TRE-3159af1a-17
0.265
MAR-TRE-6a44bbf2-34
0.263
WIL-NOV-649f4ed0-2
0.262
WIL-NOV-649f4ed0-5
0.262
MAR-TRE-dab8f6ea-19
0.261
JOH-UNI-abdb2f0c-3
0.258
ALP-POS-bad7201a-8
0.256
BAR-COM-4e090d3a-58
0.255
MAR-TRE-dab8f6ea-39
0.255
MAR-TRE-3159af1a-71
0.255
JOH-UNI-abdb2f0c-2
0.254
MAR-TRE-3159af1a-95
0.254
MAR-TRE-6a44bbf2-27
0.253
AHN-SAT-de2502ba-4
0.253
MAR-TRE-6a44bbf2-100
0.253
MAK-UNK-69bf97dd-6
0.252
BAR-COM-4e090d3a-66
0.250
MAR-TRE-67513f76-60
0.250
ROB-UNI-b2e39629-11
0.250
MAR-LAB-ca4662a6-5
0.250
MAR-TRE-a3327163-92
0.250
MAR-TRE-3159af1a-88
0.248
CHR-SOS-7098f804-4
0.247
BOG-INS-bdba9cfb-1
0.246
DAR-DIA-8b715a25-17
0.245
SAD-SAT-135344c3-1
0.245
MAR-TRE-9c797165-63
0.245
MAK-UNK-3d7e3904-3
0.245
PET-SGC-cb83a00c-1
0.245
AAR-UNI-c25c2f1e-16
0.245
ALP-POS-d0876c20-12
0.244
MAR-TRE-2fd8122f-35
0.243
MED-COV-4280ac29-22
0.243