Molecular Properties | |
SMILES: | NC(=O)CCCN(C(=O)Nc1cnccc1CNC(=O)NCCO)C1CCCCC1 |
MW: | 420.514 |
Fraction sp3: | 0.6 |
HBA: | 5 |
HBD: | 5 |
Rotatable Bonds: | 10 |
TPSA: | 149.68 |
cLogP: | 1.3052 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
CHA-KIN-6d173bb5-1
0.784
CHA-KIN-04ae69e8-1
0.618
CHA-KIN-ceadbd93-6
0.463
CHA-KIN-f512e507-1
0.455
CHA-KIN-cd2ef30b-1
0.443
CHA-KIN-f512e507-2
0.431
CHA-KIN-f512e507-3
0.410
CHA-KIN-cd2ef30b-2
0.393
CHA-KIN-cd2ef30b-3
0.379
MAK-UNK-f2409524-31
0.352
MAK-UNK-f2409524-33
0.349
MAK-UNK-f2409524-15
0.340
CHA-KIN-ceadbd93-2
0.337
PET-SGC-c429dc17-1
0.330
CES-WAB-18e74d70-1
0.330
HAN-NEW-5f56c3bc-3
0.324
DAR-DIA-03336633-1
0.324
CHA-KIN-ceadbd93-3
0.320
DAR-DIA-03336633-5
0.315
LON-WEI-af038623-1
0.308
MAK-UNK-f2409524-2
0.303
MAK-UNK-f2409524-23
0.298
DAR-DIA-03336633-7
0.298
DAR-DIA-03336633-6
0.297
DAR-DIA-03336633-3
0.294
MAK-UNK-f2409524-1
0.294
MAK-UNK-f2409524-24
0.292
MAK-UNK-f2409524-32
0.291
DAR-DIA-03336633-4
0.287
MAK-UNK-f2409524-25
0.286
MAK-UNK-f2409524-27
0.284
MAK-UNK-f2409524-34
0.283
DAR-DIA-03336633-11
0.283
MIC-UNK-ea979c74-4
0.282
MAK-UNK-f2409524-26
0.282
CHA-KIN-ceadbd93-5
0.282
DAR-DIA-03336633-2
0.281
MAK-UNK-f2409524-21
0.281
MAK-UNK-f2409524-29
0.279
CHA-KIN-ceadbd93-1
0.277
MAK-UNK-30aad1f1-4
0.274
MAK-UNK-f2409524-36
0.271
DAR-DIA-1d7f034a-1
0.268
MAR-UCB-ad2ff052-3
0.268
MAT-POS-136e7878-2
0.267
NAT-WAB-78d8bb1c-2
0.265
TRY-UNI-714a760b-11
0.265
ALE-HEI-f28a35b5-7
0.265
WIL-UNI-5578df48-11
0.265
WAR-XCH-b0339bbe-9
0.263
EDG-MED-0da5ad92-4
0.263
TRY-UNI-714a760b-10
0.263
ALE-HEI-f28a35b5-6
0.263
CHA-KIN-ceadbd93-4
0.261
MAK-UNK-f2409524-30
0.260
MAK-UNK-f2409524-16
0.258
MAK-UNK-f2409524-18
0.257
MAK-UNK-f2409524-28
0.256
MAT-POS-136e7878-1
0.256
MAK-UNK-f2409524-35
0.255
EMI-TUK-a58865cc-7
0.255
MAR-TRE-3e4e6814-62
0.255
MAR-TRE-74c6519b-81
0.255
MAK-UNK-f2409524-17
0.254
AAR-UNI-c25c2f1e-44
0.252
SIM-DEM-2843056b-4
0.252
DAR-DIA-03336633-9
0.250
MAT-POS-53907a1c-2
0.248
MAR-TRE-b77b7921-80
0.248
MAK-UNK-f2409524-22
0.248
ALE-HEI-f28a35b5-8
0.245
MAT-POS-53907a1c-3
0.244
MAK-UNK-748f8b7a-6
0.244
HAR-NEW-ca1d46ce-2
0.244
JOR-UNI-2fc98d0b-12
0.241
LON-WEI-0a73fcb8-7
0.241
ANU-UNK-2781581f-2
0.241
JOR-UNI-61e7b1d5-19
0.240
JAG-UCB-a3ef7265-3
0.239
AAR-UNI-c25c2f1e-38
0.239
JAG-UCB-a3ef7265-23
0.239
MAK-UNK-f2409524-3
0.239
MAR-UCB-ad2ff052-2
0.238
SIM-DEM-2843056b-2
0.237
EMI-TUK-a58865cc-5
0.236
MAT-POS-590ac91e-25
0.236
AAR-UNI-c25c2f1e-51
0.235
JOR-UNI-61e7b1d5-18
0.235
ALP-POS-3fc1724e-5
0.235
JOH-IMS-d6628593-3
0.235
THO-SYG-cc9e9a11-6
0.234
MIC-UNK-ea979c74-3
0.234
ALF-EVA-650655fc-2
0.233
TRY-UNI-714a760b-16
0.233
ALE-HEI-f28a35b5-11
0.233
ADA-UCB-dc2b944c-3
0.230
ALP-POS-3fc1724e-7
0.230
ADA-UCB-dc2b944c-17
0.230
MAK-UNK-f2409524-19
0.230
AAR-POS-d2a4d1df-13
0.230