Molecular Properties | |
SMILES: | O=C(NCCCNC(=O)Nc1cccc(Cl)c1)Nc1ccccc1 |
MW: | 346.12 |
Fraction sp3: | 0.18 |
HBA: | 2 |
HBD: | 4 |
Rotatable Bonds: | 6 |
TPSA: | 82.26 |
cLogP: | 3.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
AAR-UNI-c25c2f1e-78
0.554
AAR-UNI-c25c2f1e-16
0.547
AAR-UNI-c25c2f1e-30
0.500
AAR-UNI-c25c2f1e-79
0.485
AAR-UNI-c25c2f1e-51
0.470
AAR-UNI-c25c2f1e-45
0.417
AAR-UNI-c25c2f1e-97
0.417
MAR-TRE-f5c2d31c-11
0.417
DAR-DIA-23aa0b97-14
0.415
JAN-GHE-83b26c96-19
0.415
JOR-UNI-2fc98d0b-7
0.415
WAR-XCH-eb7b662f-7
0.415
CHR-SOS-7098f804-8
0.403
AAR-UNI-c25c2f1e-82
0.403
DAR-DIA-23aa0b97-13
0.397
MAR-TRE-f5c2d31c-36
0.395
JAN-LUN-3e0f9c09-1
0.395
JAN-LUN-8953ce76-6
0.395
TRY-UNI-714a760b-9
0.384
TRY-UNI-714a760b-12
0.380
JAG-UCB-cedd89ab-8
0.380
EDJ-MED-49816e9b-1
0.375
AAR-UNI-c25c2f1e-71
0.373
MIC-UNK-66895286-2
0.371
AAR-UNI-c25c2f1e-100
0.370
AAR-UNI-c25c2f1e-40
0.370
SEA-TRI-6388eba6-1
0.368
MIC-UNK-66895286-3
0.361
AAR-UNI-c25c2f1e-31
0.360
DAR-DIA-23aa0b97-12
0.359
SAD-SAT-6b5a89f0-8
0.357
MAX-MCD-16e3709a-1
0.356
MIC-UNK-10ba69b4-2
0.353
WAR-XCH-79d12f6e-10
0.348
WAR-XCH-b0339bbe-20
0.348
BEN-DND-61647d40-20
0.347
MIC-UNK-66895286-4
0.347
AAR-UNI-c25c2f1e-65
0.347
BEN-DND-61647d40-15
0.346
SEA-TRI-5a552082-1
0.346
JAG-UCB-cedd89ab-7
0.346
MIC-UNK-66895286-5
0.346
DAR-DIA-03336633-3
0.344
JOH-UNI-c7afdb96-4
0.342
PET-UNK-8922bd3c-1
0.342
SEA-TRI-2dd971ce-1
0.342
JAG-UCB-cedd89ab-6
0.342
WES-WAB-6f418dc2-1
0.341
WES-WAB-2b40d25a-1
0.341
SID-ELM-8b394441-5
0.338
SID-ELM-8b394441-7
0.338
JAG-UCB-252a2f58-1
0.338
JOH-UNI-c7afdb96-5
0.333
JIN-POS-6dc588a4-1
0.333
MAR-TRE-9d18ae8c-52
0.333
BEN-DND-61647d40-11
0.333
BEN-DND-61647d40-13
0.333
TAT-ENA-80bfd3e5-23
0.333
BEN-DND-02317c5c-11
0.333
MAT-POS-bfb445d4-1
0.329
BEN-DND-02317c5c-12
0.329
BEN-DND-61647d40-12
0.329
MAT-POS-3b92565d-14
0.329
SID-ELM-8b394441-6
0.329
JAG-UCB-ef2c0e8e-10
0.329
MIC-UNK-8373f97b-3
0.326
AAR-UNI-c25c2f1e-64
0.325
BEN-DND-61647d40-16
0.325
AAR-UNI-c25c2f1e-75
0.325
SID-ELM-b654bfa2-3
0.324
SID-ELM-2583a2cd-6
0.324
CHR-SOS-7098f804-7
0.324
WAR-XCH-79d12f6e-3
0.324
MIC-UNK-8373f97b-1
0.321
BEN-DND-61647d40-14
0.321
TRY-UNI-9f475305-11
0.321
SID-ELM-8b394441-3
0.319
MIC-UNK-10ba69b4-3
0.318
GIA-UNK-3f36037a-7
0.317
PET-SGC-0f1d26ed-2
0.316
BEN-DND-61647d40-19
0.316
MIC-UNK-10ba69b4-1
0.315
NAU-LAT-4ce8bf23-1
0.311
PET-UNK-158bee2a-2
0.310
LUI-IND-a1be81af-2
0.310
GIA-UNK-3f36037a-4
0.309
SID-ELM-2583a2cd-5
0.309
WIL-UNI-5578df48-9
0.309
BEN-VAN-ed886787-18
0.309
AAR-POS-d2a4d1df-11
0.308
MAK-UNK-c8c8f7e2-17
0.303
EDG-MED-0da5ad92-2
0.301
AAR-UNI-c25c2f1e-39
0.301
ABB-MCD-f549d731-1
0.300
SID-ELM-8b394441-1
0.300
MAK-UNK-c8c8f7e2-18
0.299
AAR-UNI-c25c2f1e-98
0.298
SID-ELM-b654bfa2-1
0.297
NIM-UNI-6eebfcd4-1
0.296
TRY-UNI-714a760b-4
0.296