Molecular Properties | |
SMILES: | O=C(CC1CCCCC1)Nc1cnccc1CO |
MW: | 248.326 |
Fraction sp3: | 0.57 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 62.22 |
cLogP: | 2.4828 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1551628986 |
CHA-KIN-ceadbd93-6
0.672
TRY-UNI-714a760b-10
0.633
ALE-HEI-f28a35b5-6
0.633
EDG-MED-0da5ad92-4
0.633
DAR-DIA-03336633-5
0.608
CHA-KIN-ceadbd93-3
0.530
AAR-POS-d2a4d1df-13
0.524
ALE-HEI-f28a35b5-9
0.524
FRA-FAC-9ed5a63a-1
0.524
TRY-UNI-714a760b-1
0.515
CHA-KIN-ceadbd93-1
0.500
SID-ELM-2583a2cd-4
0.500
SID-ELM-2583a2cd-21
0.493
CHA-KIN-ceadbd93-5
0.479
SID-ELM-8b394441-2
0.478
SID-ELM-8b394441-4
0.478
SID-ELM-2583a2cd-3
0.472
SID-ELM-2583a2cd-1
0.472
SID-ELM-2583a2cd-13
0.466
MAK-UNK-b2c98f02-2
0.458
SID-ELM-2583a2cd-12
0.452
SID-ELM-b654bfa2-21
0.449
SID-ELM-2583a2cd-18
0.446
SID-ELM-8b394441-16
0.443
SID-ELM-b654bfa2-8
0.431
CHA-KIN-ceadbd93-4
0.430
SID-ELM-2583a2cd-16
0.426
SID-ELM-b654bfa2-9
0.425
SID-ELM-8b394441-17
0.425
SID-ELM-8b394441-18
0.419
MED-UNK-e6e8ef8a-8
0.415
SID-ELM-2583a2cd-19
0.414
SID-ELM-2583a2cd-2
0.413
EDG-MED-0da5ad92-9
0.411
CES-WAB-18e74d70-1
0.410
PET-SGC-c429dc17-1
0.410
SID-ELM-b654bfa2-13
0.408
SID-ELM-2583a2cd-15
0.403
MAK-UNK-f2409524-15
0.402
THO-SYG-cc9e9a11-5
0.397
MAK-UNK-f2409524-28
0.395
MAT-POS-590ac91e-24
0.394
THO-SYG-cc9e9a11-6
0.392
SID-ELM-8b394441-20
0.388
SID-ELM-b654bfa2-10
0.388
MAK-UNK-f2409524-21
0.384
MAK-UNK-b2c98f02-1
0.384
MAK-UNK-f2409524-31
0.384
MAT-POS-590ac91e-23
0.380
SID-ELM-b654bfa2-16
0.380
SID-ELM-8b394441-19
0.380
SID-ELM-8b394441-23
0.380
MAK-UNK-f2409524-33
0.379
MAK-UNK-f2409524-27
0.378
DAR-DIA-03336633-7
0.375
MAK-UNK-f2409524-1
0.373
MAK-UNK-f2409524-26
0.373
MAK-UNK-f2409524-2
0.369
SID-ELM-b654bfa2-11
0.367
SID-ELM-b654bfa2-15
0.367
SID-ELM-8b394441-26
0.367
SID-ELM-8b394441-21
0.367
MAK-UNK-f2409524-32
0.363
SID-ELM-b654bfa2-12
0.362
JAG-UCB-a3ef7265-3
0.361
LON-WEI-0a73fcb8-7
0.360
MAK-UNK-b2c98f02-4
0.360
SID-ELM-8b394441-22
0.358
DAR-DIA-03336633-6
0.355
MAK-UNK-f2409524-24
0.352
THO-SYG-cc9e9a11-8
0.352
MAK-UNK-f2409524-34
0.351
SID-ELM-b654bfa2-20
0.350
SID-ELM-8b394441-25
0.350
DAR-DIA-03336633-1
0.348
HAN-NEW-5f56c3bc-3
0.348
TRY-UNI-714a760b-11
0.347
ALE-HEI-f28a35b5-7
0.347
SID-ELM-b654bfa2-14
0.346
SID-ELM-8b394441-24
0.346
THO-SYG-cc9e9a11-7
0.344
MAK-UNK-f2409524-23
0.344
JOH-IMS-d6628593-3
0.343
FRA-FAC-9ed5a63a-2
0.342
MED-UNK-e6e8ef8a-2
0.342
MED-UNK-e6e8ef8a-3
0.342
CHA-KIN-6d173bb5-2
0.337
TRY-UNI-714a760b-16
0.333
MAT-POS-136e7878-1
0.333
MAT-POS-590ac91e-6
0.333
MAK-UNK-f2409524-30
0.333
MAT-POS-590ac91e-7
0.329
DAR-DIA-03336633-4
0.327
CHA-KIN-6d173bb5-1
0.327
MAK-UNK-f2409524-25
0.326
MAK-UNK-b2c98f02-3
0.326
DAR-DIA-03336633-3
0.323
SAN-PRS-52b81272-1
0.319
MAK-UNK-f2409524-19
0.318
JAG-UCB-a3ef7265-23
0.317