Molecular Properties | |
SMILES: | O=C(CC1CCCCC1)Nc1cncc2nccnc12 |
MW: | 270.336 |
Fraction sp3: | 0.47 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 67.77 |
cLogP: | 2.9337 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
SID-ELM-b654bfa2-15
0.541
SID-ELM-2583a2cd-21
0.533
SID-ELM-2583a2cd-18
0.527
SID-ELM-8b394441-26
0.520
SID-ELM-2583a2cd-13
0.507
EDG-MED-0da5ad92-4
0.486
TRY-UNI-714a760b-10
0.486
ALE-HEI-f28a35b5-6
0.486
JIN-POS-6dc588a4-10
0.474
TRY-UNI-714a760b-1
0.472
CHA-KIN-ceadbd93-2
0.472
SID-ELM-2583a2cd-11
0.440
SID-ELM-8b394441-4
0.438
SID-ELM-8b394441-2
0.438
SID-ELM-2583a2cd-1
0.436
SID-ELM-2583a2cd-12
0.436
SID-ELM-b654bfa2-8
0.434
SID-ELM-b654bfa2-21
0.432
SID-ELM-2583a2cd-16
0.431
SID-ELM-b654bfa2-9
0.429
SID-ELM-8b394441-16
0.427
SID-ELM-2583a2cd-4
0.425
SID-ELM-8b394441-18
0.423
SID-ELM-2583a2cd-19
0.419
AAR-POS-d2a4d1df-13
0.417
FRA-FAC-9ed5a63a-1
0.417
ALE-HEI-f28a35b5-9
0.417
SID-ELM-8b394441-17
0.410
SID-ELM-2583a2cd-15
0.408
CHA-KIN-ceadbd93-6
0.405
DAR-DIA-03336633-5
0.404
MED-UNK-e6e8ef8a-8
0.402
SID-ELM-2583a2cd-2
0.400
MAR-UCB-fd2e172f-2
0.389
MAK-UNK-b2c98f02-2
0.380
SID-ELM-b654bfa2-10
0.376
SID-ELM-8b394441-20
0.376
SID-ELM-b654bfa2-20
0.373
SID-ELM-b654bfa2-16
0.369
SID-ELM-8b394441-19
0.369
SID-ELM-b654bfa2-13
0.361
MAK-UNK-b2c98f02-1
0.359
SID-ELM-8b394441-23
0.353
SID-ELM-8b394441-24
0.353
SID-ELM-b654bfa2-11
0.341
SID-ELM-8b394441-25
0.341
SID-ELM-8b394441-21
0.341
SID-ELM-b654bfa2-12
0.337
SID-ELM-b654bfa2-14
0.337
SID-ELM-8b394441-22
0.333
MAK-UNK-b2c98f02-4
0.323
MAK-UNK-b2c98f02-3
0.319
EDG-MED-0da5ad92-9
0.313
MAT-POS-590ac91e-23
0.284
VLA-UCB-34f3ed0c-6
0.282
MAT-POS-590ac91e-24
0.280
MAT-POS-136e7878-1
0.273
DAR-DIA-03336633-6
0.269
FRA-FAC-9ed5a63a-2
0.268
MED-UNK-e6e8ef8a-3
0.268
MED-UNK-e6e8ef8a-2
0.268
SAN-PRS-52b81272-1
0.263
EDJ-MED-c314995a-1
0.262
VLA-UCB-05e51b3f-14
0.262
MAT-POS-136e7878-2
0.260
TRY-UNI-714a760b-11
0.256
ALE-HEI-f28a35b5-7
0.256
BEN-DND-22e6b372-4
0.256
BEN-DND-93268d01-11
0.253
BEN-DND-22e6b372-3
0.250
MAK-UNK-c749d764-26
0.250
TRY-UNI-714a760b-7
0.250
RUB-POS-1325a9ea-11
0.250
MAK-UNK-f2409524-1
0.250
PET-SGC-a3e47117-1
0.247
PET-SGC-c429dc17-1
0.247
CES-WAB-18e74d70-1
0.247
DAR-DIA-03336633-7
0.245
SAD-SAT-cefd50cc-4
0.245
EDJ-MED-3c65e9ce-2
0.244
EDJ-MED-3c65e9ce-4
0.244
CHA-KIN-ceadbd93-3
0.244
CHO-MSK-6e55470f-2
0.243
JOR-UNI-2fc98d0b-12
0.242
MAT-POS-590ac91e-7
0.241
MED-UNK-e6e8ef8a-5
0.241
MIC-UNK-bcd487e9-2
0.240
MAK-UNK-ffc90da7-2
0.240
MAK-UNK-c749d764-12
0.240
MAK-UNK-c749d764-2
0.240
MAR-TRE-3e4e6814-53
0.240
MAK-UNK-f2409524-20
0.239
DAR-DIA-1d7f034a-1
0.239
MAR-UCB-ad2ff052-3
0.239
MAR-TRE-92684b97-83
0.239
MAT-POS-53907a1c-2
0.239
BEN-DND-93268d01-9
0.238
BEN-DND-09b88bf4-5
0.238
MAK-UNK-f2409524-21
0.238
MAT-POS-bb423b95-2
0.237