Molecular Properties | |
SMILES: | Cc1nc(NCCNC(=O)Nc2ccc(C)c(Cl)c2)cc(N2CCOCC2)n1 |
MW: | 404.17 |
Fraction sp3: | 0.42 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 91.41 |
cLogP: | 2.82 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6632949609 |
MolPort: | MolPort-019-797-316 |
Aliphatic long chain
MAR-TRE-f5c2d31c-28
0.782
MAR-TRE-f5c2d31c-11
0.738
MAR-TRE-f5c2d31c-9
0.725
MAR-TRE-f5c2d31c-37
0.705
MAR-TRE-f5c2d31c-39
0.690
MAR-TRE-f5c2d31c-7
0.688
MAR-TRE-f5c2d31c-42
0.687
MAR-TRE-f5c2d31c-33
0.682
MAR-TRE-f5c2d31c-22
0.655
MAR-TRE-f5c2d31c-57
0.651
MAR-TRE-f5c2d31c-29
0.643
MAR-TRE-f5c2d31c-66
0.616
MAR-TRE-f5c2d31c-27
0.616
MAR-TRE-f5c2d31c-54
0.596
MAR-TRE-fd17a9b8-72
0.552
MAR-TRE-f5c2d31c-99
0.533
MAR-TRE-f5c2d31c-13
0.527
MAR-TRE-fd17a9b8-49
0.516
MAR-TRE-f5c2d31c-70
0.516
MAR-TRE-f5c2d31c-34
0.494
MAR-TRE-f5c2d31c-12
0.489
MAR-TRE-f5c2d31c-96
0.484
MAR-TRE-f5c2d31c-25
0.483
MAR-TRE-f5c2d31c-81
0.478
MAR-TRE-f5c2d31c-36
0.474
MAR-TRE-f5c2d31c-18
0.474
MAR-TRE-f5c2d31c-8
0.467
MAR-TRE-f5c2d31c-43
0.467
MAR-TRE-f5c2d31c-38
0.447
MAR-TRE-f5c2d31c-83
0.444
MAR-TRE-f5c2d31c-63
0.444
MAR-TRE-f5c2d31c-20
0.443
MAR-TRE-f5c2d31c-35
0.434
MAR-TRE-f5c2d31c-74
0.433
MAR-TRE-f5c2d31c-52
0.418
MAR-TRE-f5c2d31c-85
0.385
AHN-SAT-de2502ba-13
0.326
MAR-TRE-6a44bbf2-83
0.326
MAR-TRE-fd17a9b8-85
0.324
MAR-TRE-f5c2d31c-79
0.323
MAR-TRE-6a44bbf2-67
0.315
BAR-COM-4e090d3a-58
0.313
UNK-UNK-2ede4078-62
0.304
MAR-TRE-1c920f6f-26
0.300
MAR-TRE-6a44bbf2-42
0.289
BAR-COM-0f94fc3d-33
0.288
MAR-TRE-9c797165-83
0.287
AHN-SAT-de2502ba-9
0.287
MAR-TRE-d0525fbf-56
0.283
MAR-TRE-67513f76-60
0.283
MAR-TRE-67513f76-86
0.280
JOH-UNI-522b0723-10
0.277
MAR-TRE-dab8f6ea-33
0.275
MAR-TRE-9c797165-69
0.269
MAR-TRE-dab8f6ea-42
0.263
MAR-TRE-9c797165-32
0.262
MAR-TRE-3159af1a-71
0.262
MAR-TRE-3159af1a-17
0.260
BEN-DND-93268d01-10
0.258
WIL-NOV-649f4ed0-2
0.257
MAR-TRE-9c797165-3
0.257
MAR-TRE-fd17a9b8-97
0.257
MAR-TRE-d0525fbf-99
0.257
MAR-TRE-4b834d9a-64
0.255
SAD-SAT-f0a2747f-7
0.255
GAB-FAC-880f6604-1
0.255
PET-SGC-276eba5a-1
0.254
MAR-TRE-74c6519b-43
0.254
MAR-TRE-3159af1a-64
0.254
AAR-UNI-c25c2f1e-30
0.253
MAR-TRE-9c797165-58
0.253
MAR-TRE-8190bb11-100
0.252
BAR-COM-4e090d3a-54
0.252
ROB-UNI-b2e39629-12
0.250
MAR-TRE-74c6519b-99
0.250
AHN-SAT-de2502ba-16
0.250
MAR-TRE-3159af1a-95
0.250
SAD-SAT-7d5528d9-4
0.248
AHN-SAT-de2502ba-4
0.247
MAR-TRE-6a44bbf2-100
0.247
AAR-UNI-c25c2f1e-78
0.247
AAR-UNI-c25c2f1e-46
0.247
ALE-HEI-f28a35b5-13
0.247
MAR-TRE-3159af1a-82
0.246
BAR-COM-4e090d3a-66
0.245
WIL-LEE-23e8b574-8
0.245
AAR-UNI-c25c2f1e-51
0.245
MAR-LAB-ca4662a6-5
0.245
MAR-TRE-6a44bbf2-41
0.245
MAR-TRE-3159af1a-52
0.243
MAR-TRE-3159af1a-88
0.243
SAD-SAT-135344c3-1
0.241
KEI-TRE-d5e2018a-13
0.241
JUL-TUD-06b2044f-154
0.239
MAR-TRE-2fd8122f-89
0.238
LUI-IND-a1be81af-2
0.238
MAR-TRE-8190bb11-7
0.238
MAR-TRE-67513f76-88
0.238
MAK-UNK-c8c8f7e2-18
0.237
MAR-TRE-3159af1a-28
0.236