Molecular Properties | |
SMILES: | CC(C)CC(=O)Nc1ccc(-n2cnc(C(=O)NC3CCCCC3)c2)nc1 |
MW: | 369.22 |
Fraction sp3: | 0.5 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 88.91 |
cLogP: | 3.31 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7233275615 |
MolPort: | MolPort-009-716-997 |
dyes5A(27)
MAR-TRE-b77b7921-35
0.743
MAR-TRE-3e4e6814-57
0.705
MAR-TRE-b77b7921-95
0.610
MAR-TRE-f6f5f473-76
0.528
MAR-TRE-67513f76-1
0.527
MAR-TRE-67513f76-21
0.518
MAR-TRE-9c797165-90
0.511
MAR-TRE-9c797165-67
0.506
MAR-TRE-9c797165-16
0.500
MAR-TRE-67513f76-16
0.494
MAR-TRE-b77b7921-92
0.443
MAR-TRE-74c6519b-100
0.441
MAR-TRE-3e4e6814-85
0.427
MAR-TRE-4b834d9a-38
0.426
MAR-TRE-74c6519b-14
0.426
MAR-TRE-67513f76-53
0.385
MAR-TRE-74c6519b-48
0.327
MAR-TRE-f6f5f473-37
0.309
AAR-UNI-c25c2f1e-96
0.303
MAR-TRE-3e4e6814-82
0.286
LON-WEI-5e7d1b3e-27
0.284
LON-WEI-4d77710c-27
0.284
ALE-HEI-f28a35b5-8
0.281
MAR-TRE-7f7bb9f0-37
0.280
CES-WAB-18e74d70-1
0.277
PET-SGC-c429dc17-1
0.277
AAR-POS-d2a4d1df-12
0.275
MAK-UNK-f2409524-14
0.274
MAR-TRE-04c86cea-19
0.273
MAR-TRE-67513f76-90
0.271
MAK-UNK-f2409524-27
0.269
MAK-UNK-b2c98f02-3
0.269
MAR-LAB-efb042c5-2
0.267
DAR-DIA-03336633-2
0.266
MAR-TRE-3159af1a-49
0.264
MAK-UNK-f2409524-18
0.264
MAK-UNK-f2409524-15
0.264
MAR-TRE-67513f76-86
0.263
MAR-TRE-04c86cea-84
0.263
MAR-TRE-14ce9fd6-1
0.263
CAL-WAB-b78df3bb-1
0.262
MAR-TRE-0fda4e82-2
0.262
MAR-TRE-74c6519b-90
0.262
ALE-HEI-f28a35b5-7
0.261
MED-UNK-e6e8ef8a-1
0.261
DAR-DIA-03336633-6
0.261
TRY-UNI-714a760b-11
0.261
MAK-UNK-f2409524-13
0.260
MAR-TRE-f6f5f473-28
0.260
SAD-SAT-edc8a235-1
0.260
TRY-UNI-714a760b-7
0.255
MAR-TRE-74c6519b-69
0.255
MAR-TRE-9c797165-3
0.255
MAR-TRE-67513f76-60
0.255
MAR-TRE-67513f76-24
0.255
MAR-TRE-4b834d9a-46
0.255
DAR-DIA-03336633-5
0.255
MAK-UNK-f2409524-16
0.254
MAR-TRE-9c797165-69
0.253
MAR-TRE-0fda4e82-42
0.252
MAK-UNK-f2409524-2
0.252
HAN-NEW-5f56c3bc-3
0.252
DAR-DIA-03336633-1
0.252
DAR-DIA-03336633-4
0.252
LON-WEI-120e5cf5-17
0.250
MAR-TRE-67513f76-82
0.250
MAR-TRE-67513f76-85
0.250
MAR-TRE-d0525fbf-87
0.250
DAR-DIA-03336633-7
0.250
AAR-POS-f650c5f2-4
0.250
LON-WEI-120e5cf5-1
0.250
MAR-TRE-9c797165-13
0.250
MAR-TRE-9c797165-58
0.250
DOU-UNK-b5326f8f-3
0.250
AAR-POS-5507155c-2
0.250
MAR-TRE-04c86cea-62
0.248
MAR-TRE-9c797165-79
0.248
MAR-TRE-67513f76-74
0.247
YOI-UNK-4c10088f-1
0.247
MAR-TRE-3e4e6814-74
0.245
MAR-TRE-f6f5f473-35
0.245
MAR-TRE-67513f76-84
0.245
LON-WEI-af038623-1
0.245
MAR-TRE-7f7bb9f0-11
0.245
MAR-TRE-67513f76-64
0.245
MAK-UNK-f2409524-20
0.245
MAK-UNK-f2409524-3
0.245
MAR-TRE-9c797165-83
0.245
MAR-TRE-67513f76-14
0.245
ZAC-WAB-86e8bacf-1
0.243
MAK-UNK-f2409524-21
0.243
MAR-TRE-f6f5f473-39
0.243
MAR-TRE-9d18ae8c-54
0.243
MAR-TRE-4b834d9a-78
0.242
MAR-TRE-74c6519b-67
0.241
MAR-TRE-74c6519b-82
0.241
MAR-TRE-67513f76-9
0.241
MAK-UNK-f2409524-6
0.241
MAK-UNK-f2409524-33
0.241
MAR-TRE-f6f5f473-67
0.241