Molecular Properties | |
SMILES: | O=C(CC1CCCCC1)Nc1c(Cl)ncn2nccc12 |
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
4-halopyridine
2-halopyridine
halo-pyridine,_-diazoles_and_-triazoles
SID-ELM-b654bfa2-12
0.676
SID-ELM-2583a2cd-4
0.513
SID-ELM-8b394441-11
0.500
SID-ELM-8b394441-4
0.473
SID-ELM-8b394441-20
0.458
SID-ELM-8b394441-21
0.457
SID-ELM-8b394441-26
0.457
SID-ELM-8b394441-25
0.457
SID-ELM-8b394441-24
0.451
SID-ELM-8b394441-19
0.417
SID-ELM-b654bfa2-10
0.407
SID-ELM-8b394441-16
0.405
SID-ELM-8b394441-23
0.400
SID-ELM-8b394441-2
0.397
ALE-HEI-f28a35b5-9
0.395
FRA-FAC-9ed5a63a-1
0.395
AAR-POS-d2a4d1df-13
0.395
SID-ELM-b654bfa2-15
0.388
SID-ELM-8b394441-17
0.373
SID-ELM-b654bfa2-11
0.372
SID-ELM-8b394441-18
0.369
SID-ELM-b654bfa2-14
0.368
SID-ELM-b654bfa2-16
0.368
TRY-UNI-714a760b-10
0.367
ALE-HEI-f28a35b5-6
0.367
EDG-MED-0da5ad92-4
0.367
SID-ELM-b654bfa2-21
0.358
CHA-KIN-ceadbd93-2
0.358
TRY-UNI-714a760b-1
0.358
SID-ELM-b654bfa2-20
0.356
SID-ELM-2583a2cd-16
0.354
SID-ELM-2583a2cd-21
0.352
SID-ELM-2583a2cd-2
0.349
SID-ELM-b654bfa2-13
0.345
MED-UNK-e6e8ef8a-8
0.340
SID-ELM-2583a2cd-3
0.333
MAK-UNK-b2c98f02-1
0.330
SID-ELM-b654bfa2-8
0.329
SID-ELM-2583a2cd-19
0.329
SID-ELM-b654bfa2-9
0.326
SID-ELM-b654bfa2-5
0.326
SID-ELM-2583a2cd-15
0.321
SID-ELM-2583a2cd-1
0.318
SID-ELM-2583a2cd-12
0.318
DAR-DIA-03336633-5
0.316
SID-ELM-2583a2cd-13
0.315
SID-ELM-2583a2cd-18
0.315
CHA-KIN-ceadbd93-6
0.312
MAK-UNK-b2c98f02-3
0.306
MAK-UNK-b2c98f02-2
0.297
MED-UNK-e6e8ef8a-3
0.286
MAK-UNK-b2c98f02-4
0.284
MAR-TRE-f6f5f473-53
0.280
EDJ-MED-c8e7a002-8
0.266
SAN-PRS-52b81272-1
0.265
EDJ-MED-51d3200d-3
0.262
MAR-TRE-b77b7921-59
0.262
MAR-TRE-b77b7921-16
0.262
VLA-UCB-34f3ed0c-6
0.259
JOR-UNI-2fc98d0b-12
0.257
MED-UNK-e6e8ef8a-2
0.256
FRA-FAC-9ed5a63a-2
0.256
JAG-UCB-52b62a6f-3
0.255
MAR-TRE-b77b7921-22
0.252
MAR-TRE-f6f5f473-16
0.252
MAT-POS-136e7878-1
0.250
ALE-HEI-f28a35b5-8
0.250
SAD-SAT-cefd50cc-4
0.248
MAR-TRE-c8530538-21
0.248
JAG-UCB-52b62a6f-1
0.243
VLA-UCB-34f3ed0c-2
0.243
MAR-TRE-3e4e6814-53
0.242
EDG-MED-0da5ad92-9
0.242
EDJ-MED-c314995a-1
0.241
VLA-UCB-05e51b3f-14
0.241
EDJ-MED-c8e7a002-17
0.240
MAT-POS-136e7878-2
0.239
MIC-UNK-ea979c74-4
0.238
KEI-TRE-d5e2018a-77
0.237
MAR-TRE-b77b7921-53
0.237
NJA-MAN-b9fb953f-4
0.237
MIC-UNK-4ce148f7-1
0.237
MED-UNK-e6e8ef8a-4
0.236
MED-COV-4280ac29-20
0.235
MAT-POS-ea426761-43
0.235
NJA-MAN-b8640440-8
0.235
MAR-UCB-fd2e172f-36
0.234
MAR-TRE-14ce9fd6-1
0.234
WIL-UNI-2a57d06c-35
0.234
MAR-TRE-f6f5f473-70
0.234
MAR-TRE-04c86cea-36
0.234
MAK-UNK-f2409524-7
0.233
MAR-TRE-9c797165-79
0.232
ADA-UCB-dc2b944c-3
0.232
ADA-UCB-dc2b944c-17
0.232
MIC-UNK-bcd487e9-2
0.231
JAG-UCB-52b62a6f-2
0.231
WAR-XCH-bdd24732-13
0.231
AAR-POS-0daf6b7e-20
0.231
SID-ELM-2583a2cd-22
0.231