Molecular Properties | |
SMILES: | Cc1ccc(NC(=O)NCCNc2cc(N3CCOCC3)ncn2)c(Cl)c1 |
MW: | 390.16 |
Fraction sp3: | 0.39 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 91.41 |
cLogP: | 2.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7746728699 |
MolPort: | MolPort-020-182-390 |
Aliphatic long chain
MAR-TRE-f5c2d31c-52
0.768
MAR-TRE-f5c2d31c-74
0.747
MAR-TRE-f5c2d31c-22
0.686
MAR-TRE-f5c2d31c-96
0.679
MAR-TRE-f5c2d31c-42
0.659
MAR-TRE-f5c2d31c-18
0.640
MAR-TRE-f5c2d31c-99
0.636
MAR-TRE-f5c2d31c-81
0.632
MAR-TRE-f5c2d31c-85
0.630
MAR-TRE-f5c2d31c-38
0.614
MAR-TRE-f5c2d31c-13
0.609
MAR-TRE-f5c2d31c-36
0.604
MAR-TRE-fd17a9b8-49
0.598
MAR-TRE-f5c2d31c-70
0.598
MAR-TRE-f5c2d31c-20
0.570
MAR-TRE-f5c2d31c-63
0.568
MAR-TRE-f5c2d31c-83
0.568
MAR-TRE-f5c2d31c-29
0.532
MAR-TRE-fd17a9b8-85
0.516
MAR-TRE-f5c2d31c-27
0.465
MAR-TRE-f5c2d31c-57
0.444
MAR-TRE-f5c2d31c-66
0.436
MAR-TRE-f5c2d31c-19
0.434
MAR-TRE-f5c2d31c-37
0.433
MAR-TRE-f5c2d31c-9
0.426
MAR-TRE-f5c2d31c-54
0.423
MAR-TRE-f5c2d31c-11
0.408
MAR-TRE-f5c2d31c-7
0.396
MAR-TRE-f5c2d31c-28
0.394
MAR-TRE-f5c2d31c-33
0.393
MAR-TRE-f5c2d31c-39
0.383
MAR-TRE-dab8f6ea-48
0.350
MAR-TRE-fd17a9b8-72
0.343
MAR-TRE-f5c2d31c-12
0.333
MAR-TRE-f5c2d31c-34
0.333
MAR-TRE-6a44bbf2-67
0.323
MAR-TRE-f5c2d31c-24
0.303
SAD-SAT-f0a2747f-5
0.296
MAR-TRE-9c797165-83
0.296
MAR-TRE-f5c2d31c-8
0.294
MAR-TRE-f5c2d31c-25
0.290
MAR-TRE-67513f76-86
0.289
JOH-UNI-522b0723-10
0.286
MAR-TRE-f5c2d31c-43
0.282
MAR-TRE-6a44bbf2-83
0.280
AHN-SAT-de2502ba-13
0.280
JOH-UNI-abdb2f0c-3
0.276
MAR-TRE-6a44bbf2-42
0.272
MAR-TRE-6a44bbf2-20
0.270
AHN-SAT-de2502ba-9
0.270
SAD-SAT-65574d3f-8
0.270
AHN-SAT-de2502ba-12
0.270
ANT-DIA-b7f58f21-9
0.269
KOV-VNK-5e1a909f-32
0.264
MAR-TRE-9c797165-58
0.262
BAR-COM-0f94fc3d-33
0.261
AHN-SAT-de2502ba-16
0.260
MAR-TRE-9c797165-32
0.259
MAR-TRE-c317dd82-22
0.257
RHE-UNK-eb059eb9-1
0.255
WAR-XCH-79d12f6e-6
0.255
MAR-TRE-6a44bbf2-13
0.255
AAR-POS-0daf6b7e-3
0.255
WIL-NOV-649f4ed0-2
0.255
MAR-TRE-67513f76-60
0.255
MAR-TRE-9c797165-69
0.253
MAR-TRE-4b834d9a-64
0.252
MAR-TRE-8190bb11-100
0.250
JOH-UNI-abdb2f0c-2
0.248
MAR-TRE-c8530538-38
0.248
MAR-TRE-a78003aa-95
0.248
AGN-NEW-9d245c51-5
0.247
MAK-UNK-69bf97dd-5
0.246
ALP-POS-a3de0cb1-12
0.244
MAR-TRE-dab8f6ea-19
0.243
NAU-LAT-f723e322-5
0.243
WIL-NOV-649f4ed0-5
0.243
BEN-DND-93268d01-10
0.242
MAR-LAB-ca4662a6-5
0.242
AAR-POS-d2a4d1df-36
0.242
PET-SGC-6016d8e6-1
0.241
SAD-SAT-f0a2747f-7
0.241
DAR-DIA-fb20be43-18
0.239
DAR-DIA-fb20be43-17
0.239
AGN-NEW-051944a9-4
0.239
SAD-SAT-135344c3-1
0.239
AGN-NEW-5f02c22c-1
0.239
TAM-UNI-d1c3dd9f-21
0.239
MAR-TRE-4f781e27-67
0.239
MAR-TRE-6a44bbf2-63
0.238
MAR-TRE-3159af1a-95
0.238
AGN-NEW-051944a9-2
0.237
MAR-TRE-2fd8122f-35
0.237
MAR-TRE-3159af1a-71
0.237
MAR-TRE-dab8f6ea-39
0.236
BAR-COM-4e090d3a-58
0.236
MAK-UNK-69bf97dd-6
0.235
DAR-DIA-caba39e3-12
0.234
MAR-TRE-799db12b-64
0.234
MAR-TRE-3159af1a-17
0.234