Molecular Properties | |
SMILES: | O=C(CC1CCCCC1)Nc1cncc2ncncc12 |
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-2583a2cd-21
0.611
SID-ELM-b654bfa2-16
0.547
SID-ELM-8b394441-19
0.547
SID-ELM-2583a2cd-1
0.507
SID-ELM-2583a2cd-3
0.507
SID-ELM-2583a2cd-12
0.507
CHA-KIN-ceadbd93-2
0.466
TRY-UNI-714a760b-1
0.466
TRY-UNI-714a760b-10
0.458
EDG-MED-0da5ad92-4
0.458
ALE-HEI-f28a35b5-6
0.458
SID-ELM-2583a2cd-17
0.453
SID-ELM-2583a2cd-18
0.443
SID-ELM-b654bfa2-21
0.427
SID-ELM-8b394441-16
0.421
SID-ELM-8b394441-4
0.413
SID-ELM-8b394441-2
0.413
SID-ELM-b654bfa2-8
0.410
SID-ELM-2583a2cd-16
0.405
SID-ELM-8b394441-17
0.405
SID-ELM-b654bfa2-9
0.405
SID-ELM-2583a2cd-4
0.402
SID-ELM-8b394441-18
0.400
CHA-KIN-ceadbd93-6
0.400
SID-ELM-2583a2cd-19
0.395
AAR-POS-d2a4d1df-13
0.392
ALE-HEI-f28a35b5-9
0.392
FRA-FAC-9ed5a63a-1
0.392
SID-ELM-2583a2cd-15
0.385
DAR-DIA-03336633-5
0.385
MED-UNK-e6e8ef8a-8
0.382
SID-ELM-2583a2cd-2
0.378
MAK-UNK-b2c98f02-2
0.376
SID-ELM-8b394441-20
0.372
SID-ELM-b654bfa2-10
0.372
MAK-UNK-b2c98f02-1
0.370
SID-ELM-8b394441-25
0.369
SID-ELM-8b394441-26
0.369
SID-ELM-b654bfa2-11
0.353
SID-ELM-8b394441-21
0.353
SID-ELM-b654bfa2-15
0.353
SID-ELM-b654bfa2-14
0.349
SID-ELM-8b394441-24
0.349
SID-ELM-b654bfa2-13
0.341
SID-ELM-b654bfa2-20
0.337
SID-ELM-8b394441-23
0.333
MAK-UNK-b2c98f02-4
0.333
MAK-UNK-b2c98f02-3
0.330
SID-ELM-b654bfa2-12
0.318
SID-ELM-8b394441-22
0.315
MAK-UNK-c749d764-26
0.301
EDG-MED-0da5ad92-9
0.294
VLA-UCB-34f3ed0c-6
0.291
MAK-UNK-c749d764-12
0.290
MAK-UNK-ffc90da7-2
0.290
MIC-UNK-08cd9c58-1
0.286
MAT-POS-f7918075-3
0.286
MAK-UNK-c749d764-1
0.284
MAK-UNK-c749d764-2
0.277
MAK-UNK-c749d764-8
0.277
MAK-UNK-c749d764-4
0.274
EDJ-MED-c314995a-1
0.272
VLA-UCB-05e51b3f-14
0.272
FRA-FAC-9ed5a63a-2
0.265
MAT-POS-590ac91e-23
0.265
MED-UNK-e6e8ef8a-2
0.265
SID-ELM-2583a2cd-20
0.264
ALP-POS-3b848b35-4
0.264
MIC-UNK-c66144cb-3
0.264
ADA-UCB-dc2b944c-2
0.264
MIC-UNK-bcd487e9-2
0.262
MAT-POS-590ac91e-24
0.262
ADA-UCB-dc2b944c-3
0.262
ADA-UCB-dc2b944c-17
0.262
YOI-UNK-144e4c15-2
0.258
MAT-POS-136e7878-2
0.257
SID-ELM-b654bfa2-22
0.256
SID-ELM-8b394441-8
0.256
DAR-DIA-03336633-7
0.255
MAT-POS-53907a1c-3
0.254
JOR-UNI-61e7b1d5-19
0.250
MED-UNK-e6e8ef8a-3
0.250
PET-UNK-a17c93d1-1
0.250
MAR-TRE-92684b97-83
0.250
MAK-UNK-f2409524-1
0.247
MAK-UNK-f2409524-22
0.247
TRY-UNI-714a760b-7
0.247
MAR-TRE-be9ff7d2-20
0.247
RAL-THA-2d450e86-1
0.247
MAK-UNK-f2409524-28
0.245
MAT-POS-136e7878-1
0.245
MAK-UNK-f2409524-15
0.245
PET-SGC-c429dc17-1
0.245
CES-WAB-18e74d70-1
0.245
MAK-UNK-f2409524-10
0.244
SAN-PRS-52b81272-1
0.244
MAT-POS-90fd5f68-5
0.243
SAD-SAT-cefd50cc-4
0.242
MAT-POS-ea426761-43
0.242
CHA-KIN-ceadbd93-3
0.241