Molecular Properties | |
SMILES: | O=C(Nc1cnccc1CO)C(O)C1CCCCC1 |
MW: | 264.325 |
Fraction sp3: | 0.57 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 82.45 |
cLogP: | 1.4536 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1784165492 |
Mcule: | MCULE-9169241413 |
MED-UNK-e6e8ef8a-7
0.531
CHA-KIN-ceadbd93-2
0.530
CHA-KIN-ceadbd93-5
0.432
CHA-KIN-ceadbd93-1
0.431
CES-WAB-18e74d70-1
0.423
PET-SGC-c429dc17-1
0.423
TRY-UNI-714a760b-16
0.423
MAK-UNK-f2409524-31
0.412
MAK-UNK-f2409524-33
0.407
TRY-UNI-714a760b-11
0.400
ALE-HEI-f28a35b5-7
0.400
MAK-UNK-f2409524-15
0.398
DAR-DIA-03336633-1
0.391
HAN-NEW-5f56c3bc-3
0.391
MAK-UNK-f2409524-27
0.390
MAK-UNK-f2409524-26
0.386
MAK-UNK-f2409524-2
0.381
DAR-DIA-03336633-5
0.379
MAK-UNK-f2409524-21
0.379
CHA-KIN-ceadbd93-6
0.378
MAK-UNK-f2409524-28
0.375
MAK-UNK-f2409524-32
0.374
CHA-KIN-ceadbd93-4
0.373
DAR-DIA-03336633-7
0.371
MAK-UNK-f2409524-23
0.371
MAK-UNK-f2409524-1
0.369
DAR-DIA-03336633-3
0.362
MED-UNK-e6e8ef8a-1
0.361
THO-SYG-cc9e9a11-5
0.358
JAG-UCB-a3ef7265-3
0.357
JOH-IMS-d6628593-3
0.357
LON-WEI-0a73fcb8-7
0.356
THO-SYG-cc9e9a11-6
0.354
DAR-DIA-03336633-6
0.351
DAR-DIA-03336633-4
0.351
MAK-UNK-f2409524-24
0.348
MAK-UNK-f2409524-34
0.347
MAR-TRE-74c6519b-57
0.346
MAK-UNK-f2409524-30
0.344
MAT-POS-590ac91e-5
0.342
MAT-POS-590ac91e-7
0.342
NAU-LAT-3f5f3993-2
0.342
TRY-UNI-714a760b-10
0.338
ALE-HEI-f28a35b5-6
0.338
EDG-MED-0da5ad92-4
0.338
ALE-HEI-f28a35b5-8
0.333
MAK-UNK-f2409524-18
0.333
MAK-UNK-f2409524-19
0.329
MAK-UNK-f2409524-20
0.329
ASH-UNK-40b46b30-13
0.329
MAK-UNK-f2409524-22
0.329
MAK-UNK-f2409524-36
0.327
TRY-UNI-714a760b-13
0.325
WIL-UNI-5578df48-11
0.321
MAT-POS-590ac91e-14
0.321
JOH-IMS-d6628593-1
0.320
CHA-KIN-6d173bb5-2
0.320
DAR-DIA-03336633-2
0.319
ZAC-WAB-d55a3c2e-2
0.314
ZAC-WAB-3baddbb3-1
0.314
MAK-UNK-f2409524-29
0.313
MAK-UNK-f203cb68-2
0.310
LON-WEI-af038623-1
0.310
CHA-KIN-6d173bb5-1
0.310
MAK-UNK-f2409524-25
0.309
MAK-UNK-f203cb68-1
0.304
THO-SYG-cc9e9a11-8
0.304
ALP-POS-3fc1724e-7
0.303
TRY-UNI-714a760b-7
0.299
THO-SYG-cc9e9a11-7
0.298
HAR-NEW-ca1d46ce-2
0.298
MAT-POS-590ac91e-25
0.296
SAD-SAT-89668ff1-3
0.295
BEN-DND-6de5dfa0-10
0.295
DAR-DIA-03336633-11
0.293
FRA-FAC-9ed5a63a-1
0.293
MAT-POS-590ac91e-19
0.293
AAR-POS-d2a4d1df-13
0.293
ALE-HEI-f28a35b5-9
0.293
MAR-TRE-9d18ae8c-57
0.293
MAK-UNK-f2409524-17
0.292
MAK-UNK-7264f48c-2
0.292
MAK-UNK-f2409524-35
0.292
MAK-UNK-b2c98f02-5
0.290
BEN-DND-93268d01-15
0.289
ERI-UCB-5b47150d-6
0.289
AAR-POS-d2a4d1df-12
0.289
MAR-TRE-3e4e6814-62
0.289
MAK-UNK-f2409524-16
0.289
MAT-POS-590ac91e-13
0.288
MAK-UNK-f203cb68-4
0.287
ANU-UNK-2781581f-2
0.284
SID-ELM-2583a2cd-4
0.282
JAG-UCB-a3ef7265-23
0.282
SAD-SAT-24589cd1-8
0.282
BEN-DND-93268d01-3
0.282
MAT-POS-590ac91e-10
0.282
MAT-POS-590ac91e-2
0.282
ERI-UCB-5b47150d-1
0.282
MAT-POS-590ac91e-1
0.282