Molecular Properties | |
SMILES: | O=C(CC1CCCCC1)Nc1cncc2[nH]ncc12 |
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-2583a2cd-1
0.600
SID-ELM-8b394441-25
0.541
SID-ELM-2583a2cd-18
0.527
SID-ELM-2583a2cd-21
0.513
SID-ELM-b654bfa2-14
0.513
SID-ELM-2583a2cd-13
0.507
RUB-POS-1325a9ea-13
0.481
TRY-UNI-714a760b-1
0.472
TRY-UNI-714a760b-10
0.465
ALE-HEI-f28a35b5-6
0.465
EDG-MED-0da5ad92-4
0.465
CHA-KIN-ceadbd93-2
0.452
SID-ELM-2583a2cd-10
0.440
SID-ELM-2583a2cd-3
0.436
SID-ELM-8b394441-16
0.427
SID-ELM-8b394441-4
0.419
SID-ELM-b654bfa2-21
0.413
SID-ELM-2583a2cd-16
0.411
SID-ELM-8b394441-17
0.410
SID-ELM-2583a2cd-4
0.407
SID-ELM-8b394441-18
0.405
SID-ELM-8b394441-24
0.402
SID-ELM-8b394441-2
0.400
SID-ELM-2583a2cd-19
0.400
SID-ELM-b654bfa2-8
0.397
FRA-FAC-9ed5a63a-1
0.397
AAR-POS-d2a4d1df-13
0.397
ALE-HEI-f28a35b5-9
0.397
SID-ELM-b654bfa2-9
0.392
SID-ELM-8b394441-21
0.390
SID-ELM-b654bfa2-11
0.390
SID-ELM-2583a2cd-15
0.390
CHA-KIN-ceadbd93-6
0.388
SID-ELM-8b394441-19
0.386
DAR-DIA-03336633-5
0.374
SID-ELM-b654bfa2-20
0.373
MED-UNK-e6e8ef8a-8
0.371
SID-ELM-b654bfa2-16
0.369
SID-ELM-2583a2cd-2
0.366
SID-ELM-8b394441-26
0.357
MAK-UNK-b2c98f02-2
0.351
SID-ELM-8b394441-20
0.345
SID-ELM-8b394441-23
0.337
MAK-UNK-c749d764-26
0.333
MAK-UNK-b2c98f02-1
0.330
SID-ELM-b654bfa2-10
0.330
SID-ELM-b654bfa2-13
0.329
EDG-MED-0da5ad92-9
0.329
SID-ELM-b654bfa2-15
0.326
SID-ELM-8b394441-22
0.318
MAK-UNK-b2c98f02-4
0.309
MAK-UNK-ffc90da7-2
0.308
MAK-UNK-c749d764-12
0.308
VLA-UCB-34f3ed0c-6
0.307
SID-ELM-b654bfa2-12
0.307
MAK-UNK-b2c98f02-3
0.305
EDJ-MED-c314995a-1
0.300
VLA-UCB-05e51b3f-14
0.300
ADA-UCB-dc2b944c-3
0.288
ADA-UCB-dc2b944c-17
0.288
MAT-POS-590ac91e-23
0.284
MAR-TRE-92684b97-83
0.282
MAK-UNK-c749d764-8
0.280
MAK-UNK-c749d764-2
0.280
MIC-UNK-c66144cb-3
0.279
ALP-POS-3b848b35-4
0.279
ADA-UCB-dc2b944c-2
0.278
JIN-POS-6dc588a4-12
0.278
MIC-UNK-bcd487e9-2
0.277
MAK-UNK-c749d764-4
0.277
MAK-UNK-c749d764-1
0.274
MAT-POS-136e7878-1
0.273
VLA-UCB-00f2c2b3-7
0.273
MIC-UNK-cdc2493e-1
0.267
MAT-POS-53907a1c-3
0.267
MAT-POS-590ac91e-24
0.265
PET-UNK-a17c93d1-1
0.264
MAT-POS-136e7878-2
0.260
TRY-UNI-714a760b-13
0.259
CHA-KIN-ceadbd93-3
0.259
VLA-UCB-05e51b3f-13
0.259
DAR-DIA-6a508060-9
0.259
VLA-UCB-50c39ae8-10
0.259
JOR-UNI-2fc98d0b-12
0.255
FRA-FAC-9ed5a63a-2
0.253
MED-UNK-e6e8ef8a-2
0.253
MED-UNK-e6e8ef8a-3
0.253
RUB-POS-1325a9ea-12
0.253
WAR-XCH-bdd24732-13
0.253
MAT-POS-173a45da-1
0.252
MIC-UNK-d935700b-2
0.250
MAT-POS-53907a1c-2
0.250
MAR-UCB-ad2ff052-3
0.250
DAR-DIA-1d7f034a-1
0.250
ALF-EVA-650655fc-5
0.248
MAK-UNK-f2409524-10
0.247
TRY-UNI-714a760b-16
0.247
SAN-PRS-52b81272-1
0.247
PET-UNK-c5865d42-2
0.245
MIC-UNK-bcd487e9-3
0.245