Molecular Properties | |
SMILES: | O=C(CC1CCCCC1)Nc1cncc2[nH]ccc12 |
MW: | 257.337 |
Fraction sp3: | 0.47 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 57.78 |
cLogP: | 3.4718 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
SID-ELM-2583a2cd-12
0.600
SID-ELM-2583a2cd-18
0.527
SID-ELM-b654bfa2-11
0.520
SID-ELM-8b394441-21
0.520
SID-ELM-2583a2cd-21
0.513
SID-ELM-2583a2cd-13
0.507
JIN-POS-6dc588a4-12
0.494
ALE-HEI-f28a35b5-6
0.486
EDG-MED-0da5ad92-4
0.486
TRY-UNI-714a760b-10
0.486
CHA-KIN-ceadbd93-2
0.472
TRY-UNI-714a760b-1
0.472
SID-ELM-2583a2cd-8
0.459
ALE-HEI-f28a35b5-9
0.437
AAR-POS-d2a4d1df-13
0.437
FRA-FAC-9ed5a63a-1
0.437
SID-ELM-2583a2cd-3
0.436
SID-ELM-2583a2cd-16
0.431
SID-ELM-2583a2cd-4
0.425
SID-ELM-8b394441-2
0.419
SID-ELM-8b394441-4
0.419
SID-ELM-b654bfa2-21
0.413
SID-ELM-8b394441-16
0.408
CHA-KIN-ceadbd93-6
0.405
SID-ELM-2583a2cd-19
0.400
SID-ELM-b654bfa2-8
0.397
SID-ELM-b654bfa2-9
0.392
SID-ELM-8b394441-17
0.392
SID-ELM-8b394441-25
0.390
SID-ELM-2583a2cd-15
0.390
SID-ELM-8b394441-18
0.388
SID-ELM-8b394441-24
0.386
MAR-UCB-fd2e172f-31
0.385
MAK-UNK-b2c98f02-2
0.380
DAR-DIA-03336633-5
0.374
SID-ELM-b654bfa2-20
0.373
MED-UNK-e6e8ef8a-8
0.371
SID-ELM-b654bfa2-14
0.369
SID-ELM-2583a2cd-2
0.366
MAK-UNK-b2c98f02-1
0.359
SID-ELM-b654bfa2-16
0.353
SID-ELM-8b394441-19
0.353
EDG-MED-0da5ad92-9
0.346
SID-ELM-b654bfa2-10
0.345
SID-ELM-8b394441-20
0.345
SID-ELM-8b394441-26
0.341
MAK-UNK-b2c98f02-4
0.337
MAK-UNK-c749d764-26
0.333
SID-ELM-b654bfa2-13
0.329
SID-ELM-b654bfa2-15
0.326
SID-ELM-b654bfa2-12
0.322
SID-ELM-8b394441-23
0.322
MAK-UNK-b2c98f02-3
0.319
SID-ELM-8b394441-22
0.318
MAK-UNK-c749d764-12
0.308
MAK-UNK-ffc90da7-2
0.308
VLA-UCB-34f3ed0c-6
0.307
MAK-UNK-c749d764-8
0.293
MAK-UNK-c749d764-2
0.293
GIA-UNK-b9c616ea-4
0.291
MAK-UNK-c749d764-4
0.290
MAK-UNK-c749d764-1
0.287
EDJ-MED-c314995a-1
0.287
VLA-UCB-05e51b3f-14
0.287
FRA-FAC-9ed5a63a-2
0.284
MED-UNK-e6e8ef8a-2
0.284
MED-UNK-e6e8ef8a-3
0.284
MAT-POS-590ac91e-23
0.284
MAT-POS-590ac91e-24
0.280
MIC-UNK-bcd487e9-2
0.277
ADA-UCB-dc2b944c-3
0.276
ADA-UCB-dc2b944c-17
0.276
JON-MED-8431cefe-1
0.276
GAB-REV-70cc3ca5-6
0.270
MAT-POS-53907a1c-3
0.267
RUB-POS-1325a9ea-13
0.267
MIC-UNK-c66144cb-3
0.267
ALP-POS-3b848b35-4
0.267
ADA-UCB-dc2b944c-2
0.266
PET-UNK-a17c93d1-1
0.264
JON-MED-9b53ef5c-1
0.263
SAN-PRS-52b81272-1
0.263
MAR-TRE-b77b7921-53
0.261
KEI-TRE-d5e2018a-77
0.261
MAT-POS-136e7878-1
0.260
MAT-POS-136e7878-2
0.260
CHA-KIN-ceadbd93-3
0.259
TRY-UNI-714a760b-13
0.259
MAT-UCB-70f7c0f7-5
0.257
MED-UNK-e6e8ef8a-5
0.256
MED-UNK-e6e8ef8a-7
0.256
BEN-DND-22e6b372-4
0.256
JOR-UNI-2fc98d0b-12
0.255
MIC-UNK-cdc2493e-1
0.255
MAR-TRE-92684b97-83
0.253
JIN-POS-6dc588a4-22
0.253
NAU-LAT-30527ac5-1
0.253
PET-UNK-7f7e354d-3
0.252
JON-MED-9b53ef5c-2
0.252
NAU-LAT-356bd3c2-2
0.250