Molecular Properties | |
SMILES: | O=C(Nc1ccccc1)Nc1c(Cl)ncc2[nH]ccc12 |
MW: | 286.722 |
Fraction sp3: | 0.0 |
HBA: | 2 |
HBD: | 3 |
Rotatable Bonds: | 2 |
TPSA: | 69.81 |
cLogP: | 3.8603 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter94_2_halo_pyridine
2-chloropyridine
2-halopyridine
halo-pyridine,_-diazoles_and_-triazoles
SID-ELM-b654bfa2-17
0.642
SID-ELM-8b394441-14
0.603
SID-ELM-8b394441-13
0.565
SID-ELM-8b394441-9
0.507
SID-ELM-8b394441-21
0.507
SID-ELM-8b394441-8
0.500
SID-ELM-2583a2cd-8
0.486
SID-ELM-8b394441-15
0.453
SID-ELM-8b394441-11
0.434
SID-ELM-b654bfa2-18
0.429
SID-ELM-b654bfa2-19
0.421
SID-ELM-8b394441-6
0.405
SID-ELM-8b394441-5
0.397
SID-ELM-8b394441-3
0.380
SID-ELM-8b394441-7
0.377
AAR-POS-d2a4d1df-11
0.373
SID-ELM-8b394441-12
0.358
SID-ELM-b654bfa2-4
0.358
SID-ELM-2583a2cd-10
0.354
SID-ELM-b654bfa2-22
0.354
SID-ELM-2583a2cd-5
0.352
HAN-NEW-5f56c3bc-1
0.351
SID-ELM-2583a2cd-9
0.350
SID-ELM-2583a2cd-6
0.347
SID-ELM-b654bfa2-7
0.346
SID-ELM-b654bfa2-2
0.333
WAR-XCH-79d12f6e-10
0.333
WAR-XCH-b0339bbe-20
0.333
SID-ELM-2583a2cd-20
0.333
SID-ELM-b654bfa2-11
0.329
SID-ELM-b654bfa2-5
0.329
SID-ELM-8b394441-1
0.324
SID-ELM-2583a2cd-17
0.321
SID-ELM-b654bfa2-1
0.321
SID-ELM-2583a2cd-7
0.320
ALE-HEI-f28a35b5-1
0.320
TRY-UNI-714a760b-4
0.320
WIL-UNI-5578df48-9
0.314
SID-ELM-b654bfa2-3
0.312
TRY-UNI-714a760b-8
0.312
MAK-UNK-37f1d6fa-2
0.306
SID-ELM-2583a2cd-11
0.305
WIL-UNI-5578df48-12
0.305
SID-ELM-2583a2cd-14
0.305
WIL-UNI-5578df48-11
0.305
SID-ELM-b654bfa2-6
0.301
MAK-UNK-30aad1f1-17
0.301
MAK-UNK-129dcd6f-6
0.300
WIL-UNI-5578df48-10
0.300
SID-ELM-8b394441-25
0.299
MAK-UNK-129dcd6f-15
0.299
MAX-MCD-16e3709a-1
0.299
NIC-UNI-0cb6411b-1
0.298
SID-ELM-8b394441-24
0.295
MAK-UNK-129dcd6f-17
0.295
PET-SGC-0f1d26ed-1
0.294
WAR-XCH-79d12f6e-3
0.293
SID-ELM-2583a2cd-22
0.289
PET-SGC-0f1d26ed-2
0.289
NAU-LAT-64f4b287-8
0.287
ROD-LAS-d5538ff9-9
0.287
TAT-ENA-80bfd3e5-23
0.286
DAR-DIA-fc970077-9
0.286
AAR-UNI-c25c2f1e-51
0.284
MAK-UNK-de8f6d00-7
0.283
MAK-UNK-37f1d6fa-3
0.282
JIN-POS-6dc588a4-12
0.281
MAK-UNK-30aad1f1-16
0.281
MAK-UNK-129dcd6f-8
0.281
MAK-UNK-129dcd6f-7
0.278
CAS-DEP-751a2458-4
0.278
MAR-TRE-9d18ae8c-52
0.278
SAD-SAT-6b5a89f0-8
0.277
CHR-SOS-7098f804-7
0.276
DAR-DIA-03336633-1
0.276
HAN-NEW-5f56c3bc-3
0.276
MAK-UNK-30aad1f1-2
0.275
MAK-UNK-30aad1f1-3
0.275
WIL-UNI-5578df48-13
0.272
MAK-UNK-129dcd6f-1
0.272
AAR-UNI-c25c2f1e-46
0.272
WAR-XCH-b0339bbe-9
0.270
WIL-UNI-5578df48-6
0.269
MAK-UNK-30aad1f1-9
0.269
MAK-UNK-30aad1f1-15
0.269
MAK-UNK-129dcd6f-18
0.269
DAR-DIA-03336633-11
0.268
GIA-UNK-3f36037a-7
0.268
NAU-LAT-356bd3c2-2
0.267
WIL-UNI-5578df48-2
0.267
MAK-UNK-de8f6d00-8
0.267
AAR-UNI-c25c2f1e-79
0.265
GIA-UNK-b9c616ea-4
0.264
AAR-UNI-c25c2f1e-16
0.262
WIL-UNI-5578df48-7
0.262
MAK-UNK-129dcd6f-16
0.261
SID-ELM-8b394441-20
0.261
CUN-WAB-25b584ee-2
0.259
WAR-XCH-b0339bbe-12
0.259
WAR-XCH-79d12f6e-1
0.259