Molecular Properties | |
SMILES: | O=C(Nc1ccccc1)Nc1c(Cl)ncc2ncccc12 |
MW: | 298.733 |
Fraction sp3: | 0.0 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 66.91 |
cLogP: | 3.9272 |
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-b654bfa2-4
0.642
SID-ELM-8b394441-8
0.609
SID-ELM-8b394441-15
0.557
SID-ELM-2583a2cd-20
0.521
SID-ELM-8b394441-14
0.514
SID-ELM-8b394441-10
0.507
SID-ELM-8b394441-20
0.506
SID-ELM-8b394441-13
0.479
SID-ELM-8b394441-3
0.441
SID-ELM-b654bfa2-7
0.416
SID-ELM-8b394441-11
0.416
SID-ELM-8b394441-6
0.405
SID-ELM-b654bfa2-22
0.405
SID-ELM-8b394441-5
0.397
AAR-POS-d2a4d1df-11
0.394
SID-ELM-8b394441-12
0.392
SID-ELM-8b394441-1
0.380
SID-ELM-8b394441-7
0.377
SID-ELM-b654bfa2-18
0.375
SID-ELM-b654bfa2-19
0.367
SID-ELM-b654bfa2-17
0.358
SID-ELM-2583a2cd-11
0.354
SID-ELM-2583a2cd-17
0.354
SID-ELM-2583a2cd-5
0.352
HAN-NEW-5f56c3bc-1
0.351
SID-ELM-b654bfa2-5
0.346
ALE-HEI-f28a35b5-1
0.338
TRY-UNI-714a760b-4
0.338
SID-ELM-b654bfa2-10
0.333
MAK-UNK-de8f6d00-7
0.333
WIL-UNI-5578df48-9
0.329
SID-ELM-2583a2cd-6
0.329
SID-ELM-2583a2cd-10
0.321
SID-ELM-2583a2cd-14
0.321
WIL-UNI-5578df48-11
0.321
WIL-UNI-5578df48-12
0.321
SID-ELM-b654bfa2-1
0.321
SID-ELM-2583a2cd-7
0.320
ROD-LAS-d5538ff9-9
0.318
SID-ELM-b654bfa2-6
0.317
WIL-UNI-5578df48-10
0.316
SID-ELM-b654bfa2-2
0.316
MAK-UNK-129dcd6f-6
0.316
WAR-XCH-b0339bbe-20
0.315
WAR-XCH-79d12f6e-10
0.315
MAK-UNK-129dcd6f-1
0.315
SID-ELM-b654bfa2-3
0.312
TRY-UNI-714a760b-8
0.312
MAK-UNK-30aad1f1-9
0.311
MAK-UNK-129dcd6f-18
0.311
MAK-UNK-129dcd6f-17
0.310
PET-SGC-0f1d26ed-1
0.310
MAT-POS-f7918075-3
0.307
MIC-UNK-08cd9c58-1
0.307
SID-ELM-2583a2cd-22
0.305
DAR-DIA-fc970077-14
0.305
SID-ELM-2583a2cd-8
0.305
MAK-UNK-de8f6d00-8
0.304
SID-ELM-2583a2cd-9
0.301
MAK-UNK-30aad1f1-17
0.301
AAR-UNI-c25c2f1e-51
0.300
AAR-UNI-c25c2f1e-64
0.300
MAK-UNK-129dcd6f-15
0.299
MAX-MCD-16e3709a-1
0.299
MAK-UNK-129dcd6f-8
0.295
WAR-XCH-79d12f6e-3
0.293
AAR-UNI-c25c2f1e-16
0.293
MAK-UNK-de8f6d00-6
0.290
PET-SGC-0f1d26ed-2
0.289
MAK-UNK-30aad1f1-3
0.289
MAK-UNK-de8f6d00-1
0.288
AAR-UNI-c25c2f1e-46
0.287
COM-UCB-1ef4e90e-16
0.287
GIA-UNK-3f36037a-7
0.286
DAR-DIA-fc970077-9
0.286
WIL-UNI-5578df48-6
0.286
WIL-UNI-5578df48-13
0.286
NIC-UNI-0cb6411b-1
0.284
MAK-UNK-30aad1f1-15
0.283
MAK-UNK-30aad1f1-16
0.281
SID-ELM-8b394441-19
0.281
MAK-UNK-37f1d6fa-2
0.280
DAR-DIA-23aa0b97-18
0.280
MAR-TRE-9d18ae8c-52
0.278
MAK-UNK-129dcd6f-7
0.278
SAD-SAT-6b5a89f0-8
0.277
BEN-DND-031a96cc-8
0.276
CHR-SOS-7098f804-7
0.276
HAN-NEW-5f56c3bc-3
0.276
DAR-DIA-03336633-1
0.276
MAK-UNK-129dcd6f-16
0.275
MAK-UNK-30aad1f1-2
0.275
AAR-UNI-c25c2f1e-40
0.274
TAM-UNI-c140e31a-19
0.274
MAK-UNK-d1e89583-1
0.273
MAK-UNK-30aad1f1-4
0.271
AAR-UNI-c25c2f1e-65
0.271
AAR-UNI-c25c2f1e-78
0.271
MAK-UNK-a7b37c5e-3
0.269
TAT-ENA-80bfd3e5-23
0.269