Molecular Properties | |
SMILES: | O=C(CC1CCCCC1)Nc1cncc2ncccc12 |
MW: | 269.348 |
Fraction sp3: | 0.44 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 54.88 |
cLogP: | 3.5387 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
SID-ELM-2583a2cd-13
0.611
SID-ELM-8b394441-20
0.558
SID-ELM-b654bfa2-10
0.538
SID-ELM-2583a2cd-3
0.533
SID-ELM-2583a2cd-1
0.513
SID-ELM-2583a2cd-12
0.513
MIC-UNK-08cd9c58-1
0.506
MAT-POS-f7918075-3
0.506
SID-ELM-8b394441-2
0.500
SID-ELM-8b394441-4
0.500
CHA-KIN-ceadbd93-2
0.493
ALE-HEI-f28a35b5-6
0.486
EDG-MED-0da5ad92-4
0.486
TRY-UNI-714a760b-10
0.486
SID-ELM-2583a2cd-20
0.474
ALE-HEI-f28a35b5-9
0.458
AAR-POS-d2a4d1df-13
0.458
FRA-FAC-9ed5a63a-1
0.458
MED-UNK-e6e8ef8a-8
0.453
TRY-UNI-714a760b-1
0.453
SID-ELM-2583a2cd-4
0.444
SID-ELM-2583a2cd-18
0.432
DAR-DIA-03336633-5
0.422
SID-ELM-b654bfa2-21
0.416
SID-ELM-8b394441-16
0.410
CHA-KIN-ceadbd93-6
0.407
MAK-UNK-b2c98f02-1
0.407
SID-ELM-8b394441-19
0.405
SID-ELM-b654bfa2-8
0.400
SID-ELM-b654bfa2-9
0.395
SID-ELM-8b394441-17
0.395
SID-ELM-2583a2cd-16
0.395
SID-ELM-8b394441-26
0.393
SID-ELM-8b394441-18
0.390
SID-ELM-b654bfa2-16
0.388
SID-ELM-2583a2cd-2
0.386
SID-ELM-2583a2cd-19
0.385
MAK-UNK-b2c98f02-2
0.383
SID-ELM-b654bfa2-15
0.376
SID-ELM-8b394441-25
0.376
SID-ELM-8b394441-21
0.376
SID-ELM-2583a2cd-15
0.375
SID-ELM-b654bfa2-11
0.360
SID-ELM-b654bfa2-12
0.356
MAK-UNK-b2c98f02-4
0.354
SID-ELM-8b394441-22
0.352
SID-ELM-b654bfa2-13
0.349
SID-ELM-b654bfa2-14
0.341
SID-ELM-8b394441-23
0.341
SID-ELM-8b394441-24
0.341
MAK-UNK-c749d764-26
0.337
SID-ELM-b654bfa2-20
0.330
MAK-UNK-c749d764-2
0.326
MAK-UNK-c749d764-12
0.326
MAK-UNK-ffc90da7-2
0.326
VLA-UCB-34f3ed0c-6
0.324
MAK-UNK-b2c98f02-3
0.323
DAR-DIA-23aa0b97-18
0.323
ADA-UCB-dc2b944c-2
0.318
EDG-MED-0da5ad92-9
0.318
ADA-UCB-dc2b944c-3
0.317
ADA-UCB-dc2b944c-17
0.317
EDJ-MED-c314995a-1
0.317
VLA-UCB-05e51b3f-14
0.317
MAK-UNK-c749d764-8
0.312
MAK-UNK-c749d764-4
0.309
MIC-UNK-c66144cb-3
0.308
ALP-POS-3b848b35-4
0.308
MAK-UNK-c749d764-1
0.305
FRA-FAC-9ed5a63a-2
0.305
MED-UNK-e6e8ef8a-2
0.305
MED-UNK-e6e8ef8a-3
0.305
SAN-PRS-52b81272-1
0.300
MIC-UNK-bcd487e9-2
0.294
MAT-POS-53907a1c-3
0.293
JOR-UNI-61e7b1d5-19
0.292
JOR-UNI-61e7b1d5-18
0.290
MAT-POS-136e7878-1
0.290
MAT-POS-590ac91e-23
0.289
JOR-UNI-2fc98d0b-12
0.286
MAT-POS-590ac91e-24
0.286
MIC-UNK-cdc2493e-1
0.284
TAT-ENA-80bfd3e5-19
0.284
MAR-TRE-3e4e6814-53
0.284
ALE-HEI-f28a35b5-8
0.284
PET-UNK-a17c93d1-1
0.280
CES-WAB-18e74d70-1
0.280
PET-SGC-c429dc17-1
0.280
MAR-TRE-3159af1a-49
0.278
TRY-UNI-714a760b-11
0.277
ALE-HEI-f28a35b5-7
0.277
MED-UNK-e6e8ef8a-5
0.277
GAB-REV-70cc3ca5-4
0.277
MAT-POS-136e7878-2
0.276
SID-ELM-2583a2cd-17
0.276
DAR-DIA-03336633-7
0.275
VLA-UCB-05e51b3f-13
0.274
VLA-UCB-50c39ae8-10
0.274
DAR-DIA-6a508060-9
0.274
IAN-BAS-b0010df8-1
0.273