Molecular Properties | |
SMILES: | O=C(CC1CCCCC1)Nc1c(Cl)ncc2nccn12 |
MW: | 292.77 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 59.29 |
cLogP: | 3.2916 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
α-Halogen substituted N-heterocycles
2-halopyridine
halo-pyridine,_-diazoles_and_-triazoles
SID-ELM-b654bfa2-13
0.681
SID-ELM-2583a2cd-2
0.533
SID-ELM-8b394441-12
0.462
SID-ELM-8b394441-17
0.430
SID-ELM-8b394441-16
0.429
SID-ELM-8b394441-26
0.427
SID-ELM-8b394441-18
0.425
SID-ELM-8b394441-24
0.422
SID-ELM-8b394441-4
0.421
SID-ELM-8b394441-20
0.412
SID-ELM-8b394441-21
0.410
SID-ELM-8b394441-25
0.410
SID-ELM-8b394441-22
0.400
ALE-HEI-f28a35b5-6
0.390
TRY-UNI-714a760b-10
0.390
EDG-MED-0da5ad92-4
0.390
SID-ELM-8b394441-19
0.388
ALE-HEI-f28a35b5-9
0.382
FRA-FAC-9ed5a63a-1
0.382
AAR-POS-d2a4d1df-13
0.382
CHA-KIN-ceadbd93-2
0.380
SID-ELM-b654bfa2-14
0.372
SID-ELM-8b394441-2
0.367
SID-ELM-b654bfa2-21
0.362
SID-ELM-b654bfa2-9
0.361
SID-ELM-2583a2cd-16
0.359
SID-ELM-b654bfa2-12
0.356
SID-ELM-2583a2cd-3
0.353
SID-ELM-2583a2cd-19
0.350
SID-ELM-b654bfa2-8
0.349
SID-ELM-b654bfa2-10
0.348
DAR-DIA-03336633-5
0.347
TRY-UNI-714a760b-1
0.346
SID-ELM-b654bfa2-15
0.345
SID-ELM-2583a2cd-4
0.345
SID-ELM-b654bfa2-11
0.345
SID-ELM-2583a2cd-15
0.341
SID-ELM-2583a2cd-21
0.341
SID-ELM-2583a2cd-12
0.337
SID-ELM-2583a2cd-13
0.333
SID-ELM-2583a2cd-18
0.333
CHA-KIN-ceadbd93-6
0.330
SID-ELM-b654bfa2-20
0.330
SID-ELM-b654bfa2-16
0.326
SID-ELM-2583a2cd-1
0.322
MAK-UNK-b2c98f02-1
0.320
MED-UNK-e6e8ef8a-8
0.316
SID-ELM-b654bfa2-6
0.302
MAK-UNK-b2c98f02-3
0.296
MAT-POS-136e7878-1
0.290
MAK-UNK-b2c98f02-2
0.287
MAK-UNK-b2c98f02-4
0.287
JOR-UNI-2fc98d0b-12
0.286
MAK-UNK-f2409524-6
0.277
SAD-SAT-cefd50cc-4
0.276
SAD-SAT-edc8a235-1
0.261
EDJ-MED-c314995a-1
0.255
VLA-UCB-05e51b3f-14
0.255
YOI-UNK-4c10088f-1
0.247
EDJ-MED-6e43a462-7
0.245
EDG-MED-0da5ad92-9
0.244
FRA-FAC-9ed5a63a-2
0.244
MED-UNK-e6e8ef8a-2
0.244
MED-UNK-e6e8ef8a-3
0.244
MAK-UNK-f2409524-21
0.243
EDJ-MED-6e43a462-5
0.242
MAT-POS-136e7878-2
0.241
JOR-UNI-61e7b1d5-18
0.240
VLA-UCB-34f3ed0c-6
0.239
SAN-PRS-52b81272-1
0.238
RAY-UNI-5365d7e5-1
0.237
VLA-UCB-34f3ed0c-2
0.234
SID-ELM-2583a2cd-14
0.233
MAR-TRE-f6f5f473-53
0.233
ALE-HEI-f28a35b5-7
0.233
TRY-UNI-714a760b-11
0.233
MAT-POS-53907a1c-2
0.232
JOR-UNI-61e7b1d5-20
0.231
MAK-UNK-f2409524-28
0.229
EDJ-MED-827e7cb4-7
0.229
MAR-TRE-b77b7921-16
0.229
MAT-POS-590ac91e-24
0.227
KEI-TRE-d5e2018a-77
0.227
EDJ-MED-b24713dc-1
0.227
JOR-UNI-2fc98d0b-8
0.227
MAR-TRE-b77b7921-53
0.227
MAT-UCB-93f6aed8-2
0.225
MAT-POS-ea426761-43
0.224
MIC-UNK-cdc2493e-1
0.224
ALE-HEI-f28a35b5-8
0.224
MAK-UNK-f2409524-7
0.223
ALP-POS-3fc1724e-7
0.223
MIC-UNK-bcd487e9-2
0.222
DAR-DIA-1d7f034a-1
0.222
MAR-UCB-ad2ff052-3
0.222
CHA-KIN-ceadbd93-3
0.222
MAR-TRE-f6f5f473-98
0.219
MED-UNK-e6e8ef8a-7
0.218
AAR-POS-d2a4d1df-12
0.218
MED-UNK-e6e8ef8a-5
0.218