Molecular Properties | |
SMILES: | O=C(NCCNC(=O)Nc1ccccc1)NCc1cccc(Cl)c1 |
MW: | 346.12 |
Fraction sp3: | 0.18 |
HBA: | 2 |
HBD: | 4 |
Rotatable Bonds: | 6 |
TPSA: | 82.26 |
cLogP: | 2.96 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
AAR-UNI-c25c2f1e-51
0.672
AAR-UNI-c25c2f1e-46
0.554
AAR-UNI-c25c2f1e-82
0.493
AAR-UNI-c25c2f1e-16
0.465
AAR-UNI-c25c2f1e-31
0.446
AAR-UNI-c25c2f1e-30
0.444
AAR-UNI-c25c2f1e-2
0.413
AAR-UNI-c25c2f1e-65
0.413
AAR-UNI-c25c2f1e-35
0.408
DAR-DIA-6a49afbe-1
0.392
AAR-UNI-c25c2f1e-71
0.385
AAR-UNI-c25c2f1e-100
0.382
MAR-TRE-9d18ae8c-52
0.378
AAR-UNI-c25c2f1e-79
0.373
CHR-SOS-7098f804-8
0.373
TRY-UNI-1fd04853-5
0.366
NIC-BIO-a68395b7-4
0.362
ALP-POS-76eab5ce-2
0.358
NIC-BIO-7d400292-3
0.353
AAR-UNI-c25c2f1e-56
0.349
AAR-UNI-c25c2f1e-39
0.345
MAT-POS-3b92565d-13
0.345
JAN-GHE-5a013bed-5
0.338
AAR-UNI-c25c2f1e-45
0.338
VLA-UNK-4cf5aa07-2
0.338
WES-WAB-6f418dc2-1
0.337
NIC-BIO-3276ca7f-6
0.337
EDG-MED-0da5ad92-2
0.333
AAR-UNI-c25c2f1e-25
0.333
MAR-TRE-f5c2d31c-11
0.333
NIM-UNI-6eebfcd4-1
0.333
MAR-TRE-f5c2d31c-36
0.330
AAR-UNI-c25c2f1e-40
0.329
SAD-SAT-6b5a89f0-8
0.328
BEN-DND-1e24cf73-1
0.325
PET-UNK-8df914d1-2
0.325
JOH-UNI-abfda500-4
0.325
EDG-MED-0da5ad92-16
0.325
JAG-UCB-a3ef7265-17
0.325
NAU-LAT-e1818702-7
0.325
JAN-GHE-5a013bed-6
0.324
JAN-GHE-5a013bed-9
0.324
NAM-UNK-f7c77a48-3
0.324
PET-UNK-158bee2a-2
0.324
WAR-XCH-79d12f6e-10
0.324
WAR-XCH-b0339bbe-20
0.324
WES-WAB-2b40d25a-1
0.322
AAR-UNI-c25c2f1e-64
0.322
MAT-POS-3cc264b0-1
0.321
ALP-POS-0c2c77e1-1
0.321
EDJ-MED-50fe53e8-1
0.321
PET-UNK-8922bd3c-1
0.321
BEN-DND-1e24cf73-3
0.321
NAU-LAT-e1818702-8
0.321
NAU-LAT-e1818702-9
0.321
MAT-POS-bb423b95-3
0.321
JOH-UNI-c7afdb96-4
0.321
JAN-GHE-5a013bed-7
0.320
NAU-LAT-e1818702-10
0.320
CHR-SOS-7098f804-7
0.319
AAR-UNI-c25c2f1e-18
0.318
JOH-UNI-6fede743-1
0.318
MIC-UNK-b12b7f76-2
0.317
JIN-POS-6dc588a4-3
0.317
MIC-UNK-66895286-1
0.316
SID-ELM-8b394441-5
0.316
MAT-POS-bb423b95-6
0.313
JOH-UNI-6fede743-3
0.313
BEN-DND-02317c5c-8
0.313
PET-UNK-e44ffd04-1
0.313
NAU-LAT-a5c7d7cb-12
0.313
JIN-POS-6dc588a4-19
0.313
WIL-UNI-5578df48-11
0.312
TAT-ENA-80bfd3e5-23
0.311
NAU-LAT-a5c7d7cb-13
0.310
RUB-POS-1325a9ea-17
0.310
ALP-POS-90e38439-1
0.310
VLA-UCB-1dbca3b4-1
0.310
RUB-POS-1325a9ea-23
0.310
ANN-UNI-98d2bf15-3
0.309
JOH-UNI-abfda500-5
0.309
EDG-MED-0da5ad92-1
0.309
VLA-UNK-4cf5aa07-1
0.309
JAN-GHE-83b26c96-15
0.309
PET-UNK-158bee2a-1
0.309
MAX-MCD-16e3709a-1
0.308
SAM-UNK-2684b532-13
0.308
ALP-POS-95b75b4d-8
0.308
EDG-MED-0da5ad92-13
0.308
PET-UNK-8df914d1-4
0.308
SID-ELM-8b394441-6
0.308
EDJ-MED-50fe53e8-2
0.306
MAT-POS-f7918075-6
0.306
SID-ELM-2583a2cd-5
0.306
AAR-UNI-c25c2f1e-97
0.305
MAK-UNK-6ca90168-23
0.305
EDG-MED-0da5ad92-14
0.304
EDJ-MED-49816e9b-3
0.304
MIC-UNK-13557a72-1
0.304
EDG-MED-0da5ad92-12
0.304