Molecular Properties | |
SMILES: | O=C(CC1CCCCC1)Nc1cnccc1CNC(=O)NCO |
MW: | 320.393 |
Fraction sp3: | 0.56 |
HBA: | 4 |
HBD: | 4 |
Rotatable Bonds: | 6 |
TPSA: | 103.35 |
cLogP: | 1.7395 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_CH2O_acetal
het-C-het not in ring
CHA-KIN-ceadbd93-2
0.672
DAR-DIA-03336633-5
0.560
TRY-UNI-714a760b-10
0.528
EDG-MED-0da5ad92-4
0.528
ALE-HEI-f28a35b5-6
0.528
CHA-KIN-6d173bb5-2
0.463
FRA-FAC-9ed5a63a-1
0.440
ALE-HEI-f28a35b5-9
0.440
AAR-POS-d2a4d1df-13
0.440
MAK-UNK-f2409524-33
0.435
CHA-KIN-6d173bb5-1
0.434
SID-ELM-2583a2cd-4
0.429
TRY-UNI-714a760b-1
0.418
MAK-UNK-f2409524-31
0.409
SID-ELM-2583a2cd-21
0.407
SID-ELM-8b394441-2
0.405
SID-ELM-8b394441-4
0.405
SID-ELM-2583a2cd-1
0.405
SID-ELM-2583a2cd-3
0.405
SID-ELM-b654bfa2-8
0.402
MAK-UNK-b2c98f02-2
0.400
SID-ELM-2583a2cd-13
0.400
SID-ELM-8b394441-17
0.398
SID-ELM-2583a2cd-12
0.388
SID-ELM-2583a2cd-18
0.384
SID-ELM-b654bfa2-21
0.383
SID-ELM-8b394441-16
0.378
CHA-KIN-ceadbd93-3
0.378
CES-WAB-18e74d70-1
0.371
PET-SGC-c429dc17-1
0.371
SID-ELM-2583a2cd-19
0.370
CHA-KIN-04ae69e8-1
0.370
MAK-UNK-f2409524-15
0.366
SID-ELM-b654bfa2-9
0.365
SID-ELM-2583a2cd-16
0.362
MED-UNK-e6e8ef8a-8
0.362
CHA-KIN-ceadbd93-5
0.360
SID-ELM-8b394441-18
0.360
DAR-DIA-03336633-7
0.357
CHA-KIN-ceadbd93-1
0.357
SID-ELM-2583a2cd-2
0.356
MAT-POS-590ac91e-24
0.354
EDG-MED-0da5ad92-9
0.353
DAR-DIA-03336633-6
0.353
SID-ELM-b654bfa2-13
0.352
MAK-UNK-b2c98f02-1
0.351
SID-ELM-2583a2cd-15
0.345
SID-ELM-b654bfa2-10
0.337
SID-ELM-8b394441-20
0.337
MAK-UNK-f2409524-34
0.337
MAK-UNK-f2409524-32
0.333
DAR-DIA-03336633-1
0.333
HAN-NEW-5f56c3bc-3
0.333
MAK-UNK-f2409524-28
0.333
SID-ELM-b654bfa2-15
0.333
CHA-KIN-ceadbd93-4
0.330
SID-ELM-8b394441-19
0.330
SID-ELM-8b394441-23
0.330
SID-ELM-b654bfa2-16
0.330
MAK-UNK-b2c98f02-3
0.327
MAK-UNK-f2409524-26
0.326
MAT-POS-590ac91e-23
0.325
MAK-UNK-f2409524-21
0.323
SID-ELM-b654bfa2-11
0.319
SID-ELM-b654bfa2-20
0.319
SID-ELM-8b394441-21
0.319
SID-ELM-8b394441-26
0.319
MAK-UNK-f2409524-27
0.316
SID-ELM-b654bfa2-12
0.315
DAR-DIA-03336633-4
0.315
MAK-UNK-f2409524-1
0.312
SID-ELM-8b394441-22
0.312
DAR-DIA-03336633-3
0.311
MAK-UNK-f2409524-24
0.310
MAK-UNK-f2409524-2
0.309
SID-ELM-8b394441-25
0.304
MAK-UNK-f2409524-23
0.304
MAK-UNK-b2c98f02-4
0.304
MAT-POS-590ac91e-15
0.302
LON-WEI-af038623-1
0.302
MAK-UNK-f2409524-25
0.302
MAT-POS-590ac91e-6
0.301
SID-ELM-8b394441-24
0.301
SID-ELM-b654bfa2-14
0.301
THO-SYG-cc9e9a11-5
0.301
DAR-DIA-03336633-9
0.300
THO-SYG-cc9e9a11-6
0.298
ALE-HEI-f28a35b5-7
0.298
TRY-UNI-714a760b-11
0.298
DAR-DIA-03336633-2
0.297
MED-UNK-e6e8ef8a-2
0.294
MED-UNK-e6e8ef8a-3
0.294
MAT-POS-136e7878-1
0.294
FRA-FAC-9ed5a63a-2
0.294
MAT-POS-136e7878-2
0.292
SAN-PRS-52b81272-1
0.289
MAT-POS-590ac91e-25
0.289
DAR-DIA-03336633-11
0.287
MAK-UNK-f2409524-35
0.287
MAK-UNK-f2409524-36
0.284