Molecular Properties | |
SMILES: | O=C(Nc1ccccc1)Nc1c(Cl)ncc2nccnc12 |
MW: | 299.721 |
Fraction sp3: | 0.0 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 79.8 |
cLogP: | 3.3222 |
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-b654bfa2-7
0.636
SID-ELM-8b394441-9
0.557
SID-ELM-8b394441-13
0.529
SID-ELM-8b394441-8
0.528
SID-ELM-2583a2cd-11
0.493
SID-ELM-8b394441-26
0.474
SID-ELM-8b394441-14
0.459
SID-ELM-8b394441-10
0.453
SID-ELM-b654bfa2-4
0.434
SID-ELM-8b394441-11
0.421
SID-ELM-b654bfa2-22
0.410
SID-ELM-8b394441-3
0.406
SID-ELM-8b394441-5
0.403
SID-ELM-8b394441-12
0.397
SID-ELM-8b394441-6
0.392
SID-ELM-8b394441-7
0.382
SID-ELM-b654bfa2-18
0.380
AAR-POS-d2a4d1df-11
0.379
SID-ELM-2583a2cd-20
0.372
SID-ELM-b654bfa2-19
0.372
SID-ELM-b654bfa2-17
0.362
SID-ELM-2583a2cd-5
0.357
HAN-NEW-5f56c3bc-1
0.356
SID-ELM-2583a2cd-6
0.352
SID-ELM-b654bfa2-5
0.350
SID-ELM-8b394441-1
0.347
ALE-HEI-f28a35b5-1
0.342
SID-ELM-2583a2cd-7
0.342
TRY-UNI-714a760b-4
0.342
SID-ELM-2583a2cd-22
0.342
WIL-UNI-5578df48-12
0.342
SID-ELM-2583a2cd-17
0.342
WIL-UNI-5578df48-9
0.333
SID-ELM-2583a2cd-10
0.325
SID-ELM-2583a2cd-14
0.325
SID-ELM-b654bfa2-1
0.325
MAX-MCD-16e3709a-1
0.323
ROD-LAS-d5538ff9-9
0.321
SID-ELM-b654bfa2-6
0.321
SID-ELM-2583a2cd-9
0.321
MAK-UNK-129dcd6f-6
0.321
WIL-UNI-5578df48-10
0.321
SID-ELM-b654bfa2-2
0.321
WAR-XCH-79d12f6e-10
0.319
WAR-XCH-b0339bbe-20
0.319
SID-ELM-b654bfa2-3
0.316
TRY-UNI-714a760b-8
0.316
MAK-UNK-129dcd6f-17
0.314
MAK-UNK-129dcd6f-7
0.310
SID-ELM-2583a2cd-8
0.309
WIL-UNI-5578df48-11
0.309
MAK-UNK-30aad1f1-17
0.305
MAK-UNK-129dcd6f-1
0.303
MAK-UNK-129dcd6f-15
0.302
SID-ELM-b654bfa2-15
0.302
MAK-UNK-30aad1f1-16
0.299
MAK-UNK-129dcd6f-8
0.299
PET-SGC-0f1d26ed-1
0.298
WAR-XCH-79d12f6e-3
0.297
MAK-UNK-37f1d6fa-2
0.296
MAK-UNK-30aad1f1-3
0.292
MAK-UNK-129dcd6f-16
0.292
HAN-NEW-5f56c3bc-3
0.292
DAR-DIA-03336633-1
0.292
AAR-UNI-c25c2f1e-46
0.291
GIA-UNK-3f36037a-7
0.290
DAR-DIA-fc970077-9
0.289
WIL-UNI-5578df48-13
0.289
AAR-UNI-c25c2f1e-51
0.287
MAK-UNK-129dcd6f-18
0.286
MAK-UNK-30aad1f1-9
0.286
MAK-UNK-30aad1f1-15
0.286
MAK-UNK-de8f6d00-7
0.286
MAK-UNK-37f1d6fa-3
0.284
JIN-POS-6dc588a4-10
0.284
SAD-SAT-6b5a89f0-8
0.281
CHR-SOS-7098f804-7
0.280
MAK-UNK-30aad1f1-2
0.278
SID-ELM-8b394441-20
0.278
PET-SGC-0f1d26ed-2
0.277
CHR-SOS-7098f804-9
0.277
DAR-DIA-23aa0b97-15
0.276
MAK-UNK-30aad1f1-4
0.274
NIC-UNI-0cb6411b-1
0.274
TAT-ENA-80bfd3e5-23
0.273
WIL-UNI-5578df48-6
0.273
AAR-UNI-c25c2f1e-79
0.268
MAR-TRE-9d18ae8c-52
0.267
AAR-UNI-c25c2f1e-16
0.265
BEN-DND-031a96cc-8
0.263
WAR-XCH-eb7b662f-3
0.263
MAR-TRE-e86a56b5-66
0.263
AAR-UNI-c25c2f1e-40
0.262
DAR-DIA-fc970077-14
0.262
MAK-UNK-37f1d6fa-4
0.262
AAR-UNI-c25c2f1e-64
0.261
MAK-UNK-0cb6a3ad-11
0.260
WAR-XCH-b0339bbe-9
0.260
MAK-UNK-d1e89583-1
0.260
AAR-UNI-c25c2f1e-65
0.259