Molecular Properties | |
SMILES: | O=C(CC1CCCCC1)Nc1cncc2[nH]cnc12 |
MW: | 258.325 |
Fraction sp3: | 0.5 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 70.67 |
cLogP: | 2.8668 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
SID-ELM-b654bfa2-20
0.533
SID-ELM-2583a2cd-3
0.527
SID-ELM-2583a2cd-1
0.527
SID-ELM-2583a2cd-12
0.527
SID-ELM-8b394441-24
0.526
TRY-UNI-714a760b-1
0.466
EDG-MED-0da5ad92-4
0.458
ALE-HEI-f28a35b5-6
0.458
TRY-UNI-714a760b-10
0.458
SID-ELM-2583a2cd-9
0.447
CHA-KIN-ceadbd93-2
0.446
SID-ELM-2583a2cd-13
0.443
SID-ELM-8b394441-17
0.442
SID-ELM-8b394441-16
0.440
SID-ELM-8b394441-18
0.436
SID-ELM-2583a2cd-21
0.432
SID-ELM-b654bfa2-8
0.429
SID-ELM-b654bfa2-21
0.427
SID-ELM-8b394441-4
0.413
SID-ELM-8b394441-2
0.413
SID-ELM-2583a2cd-19
0.413
AAR-POS-d2a4d1df-13
0.411
ALE-HEI-f28a35b5-9
0.411
FRA-FAC-9ed5a63a-1
0.411
SID-ELM-2583a2cd-16
0.405
SID-ELM-b654bfa2-9
0.405
SID-ELM-2583a2cd-4
0.402
SID-ELM-8b394441-21
0.386
SID-ELM-b654bfa2-11
0.386
SID-ELM-2583a2cd-15
0.385
CHA-KIN-ceadbd93-6
0.384
MED-UNK-e6e8ef8a-8
0.382
SID-ELM-2583a2cd-2
0.378
DAR-DIA-03336633-5
0.370
SID-ELM-8b394441-25
0.369
SID-ELM-b654bfa2-14
0.365
MAK-UNK-b2c98f02-2
0.362
SID-ELM-8b394441-26
0.353
SID-ELM-b654bfa2-15
0.353
SID-ELM-b654bfa2-16
0.349
SID-ELM-8b394441-19
0.349
SID-ELM-b654bfa2-13
0.341
MAK-UNK-b2c98f02-1
0.340
SID-ELM-8b394441-23
0.333
SID-ELM-b654bfa2-10
0.326
SID-ELM-8b394441-20
0.326
SID-ELM-b654bfa2-12
0.318
MAK-UNK-b2c98f02-3
0.316
SID-ELM-8b394441-22
0.315
EDG-MED-0da5ad92-9
0.310
MAK-UNK-b2c98f02-4
0.306
MAT-POS-590ac91e-23
0.280
VLA-UCB-34f3ed0c-6
0.267
MED-UNK-e6e8ef8a-3
0.265
FRA-FAC-9ed5a63a-2
0.265
MED-UNK-e6e8ef8a-2
0.265
MAT-POS-590ac91e-24
0.262
MAK-UNK-c749d764-26
0.260
DOU-UNK-b5326f8f-3
0.255
MAR-TRE-92684b97-83
0.250
TRY-UNI-714a760b-7
0.247
MAR-TRE-f5c2d31c-93
0.245
KEI-TRE-d5e2018a-77
0.245
MAR-TRE-b77b7921-53
0.245
SAN-PRS-52b81272-1
0.244
SAD-SAT-cefd50cc-4
0.242
TRY-UNI-714a760b-13
0.241
CHA-KIN-ceadbd93-3
0.241
MED-UNK-e6e8ef8a-5
0.238
MIC-UNK-bcd487e9-2
0.238
MED-UNK-e6e8ef8a-7
0.238
TRY-UNI-714a760b-11
0.238
ALE-HEI-f28a35b5-7
0.238
CHR-SOS-54d5cf3e-4
0.238
WAR-XCH-bdd24732-13
0.238
MAK-UNK-ffc90da7-2
0.237
MAR-TRE-3e4e6814-53
0.237
MAK-UNK-c749d764-12
0.237
SID-ELM-8b394441-13
0.236
SID-ELM-b654bfa2-19
0.236
MAR-TRE-67513f76-90
0.236
EDJ-MED-c314995a-1
0.236
VLA-UCB-05e51b3f-14
0.236
MAK-UNK-f2409524-21
0.235
MAK-UNK-f2409524-1
0.235
KIM-UNI-60f168f5-1
0.235
JIN-POS-6dc588a4-12
0.234
MAT-POS-136e7878-2
0.234
MAT-POS-590ac91e-25
0.233
MAT-POS-136e7878-1
0.233
MAK-UNK-c749d764-1
0.232
ALP-POS-95b75b4d-10
0.232
CHR-SOS-54d5cf3e-2
0.230
GAB-REV-70cc3ca5-5
0.230
MED-UNK-e6e8ef8a-4
0.230
GAB-REV-70cc3ca5-18
0.229
ALE-HEI-f28a35b5-8
0.229
DAR-DIA-0cde14eb-34
0.228
JOR-UNI-2fc98d0b-12
0.228
PET-UNK-a17c93d1-1
0.227