Molecular Properties | |
SMILES: | O=C(Nc1ccccc1)Nc1c(Cl)ncc2nccn12 |
MW: | 287.71 |
Fraction sp3: | 0.0 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 71.32 |
cLogP: | 3.0267 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
α-Halogen substituted N-heterocycles
2-halopyridine
halo-pyridine,_-diazoles_and_-triazoles
SID-ELM-b654bfa2-6
0.688
SID-ELM-2583a2cd-14
0.507
SID-ELM-8b394441-23
0.462
SID-ELM-8b394441-6
0.405
SID-ELM-8b394441-13
0.403
SID-ELM-8b394441-3
0.400
SID-ELM-8b394441-15
0.397
SID-ELM-8b394441-5
0.397
SID-ELM-8b394441-7
0.395
SID-ELM-8b394441-9
0.392
SID-ELM-8b394441-14
0.380
AAR-POS-d2a4d1df-11
0.373
SID-ELM-8b394441-11
0.362
SID-ELM-8b394441-1
0.361
SID-ELM-8b394441-10
0.358
SID-ELM-b654bfa2-18
0.358
SID-ELM-8b394441-8
0.354
HAN-NEW-5f56c3bc-1
0.351
SID-ELM-b654bfa2-3
0.346
SID-ELM-b654bfa2-5
0.346
SID-ELM-b654bfa2-4
0.341
ALE-HEI-f28a35b5-1
0.338
TRY-UNI-714a760b-4
0.338
SID-ELM-b654bfa2-1
0.338
ROD-LAS-d5538ff9-9
0.333
SID-ELM-b654bfa2-2
0.333
SID-ELM-2583a2cd-5
0.333
MAK-UNK-129dcd6f-6
0.333
SID-ELM-b654bfa2-7
0.329
SID-ELM-2583a2cd-6
0.329
SID-ELM-2583a2cd-22
0.321
SID-ELM-2583a2cd-11
0.321
WIL-UNI-5578df48-12
0.321
SID-ELM-2583a2cd-7
0.320
MAX-MCD-16e3709a-1
0.318
SID-ELM-b654bfa2-13
0.318
SID-ELM-b654bfa2-19
0.317
SID-ELM-2583a2cd-20
0.317
WIL-UNI-5578df48-10
0.316
WIL-UNI-5578df48-9
0.314
TRY-UNI-714a760b-8
0.312
MAK-UNK-129dcd6f-8
0.310
MAK-UNK-129dcd6f-17
0.310
SID-ELM-b654bfa2-17
0.310
PET-SGC-0f1d26ed-1
0.310
SID-ELM-b654bfa2-22
0.306
WIL-UNI-5578df48-11
0.305
SID-ELM-2583a2cd-10
0.305
SID-ELM-2583a2cd-17
0.305
MAK-UNK-ae34c249-4
0.302
SID-ELM-2583a2cd-9
0.301
MAK-UNK-30aad1f1-17
0.301
WIL-UNI-5578df48-13
0.300
MAK-UNK-129dcd6f-1
0.300
WAR-XCH-79d12f6e-10
0.297
WAR-XCH-b0339bbe-20
0.297
SAD-SAT-6b5a89f0-8
0.297
WAR-XCH-79d12f6e-3
0.293
MAK-UNK-129dcd6f-7
0.292
SID-ELM-2583a2cd-8
0.289
DAR-DIA-03336633-1
0.289
HAN-NEW-5f56c3bc-3
0.289
AAR-UNI-c25c2f1e-46
0.287
MAK-UNK-ae34c249-3
0.287
GIA-UNK-3f36037a-7
0.286
MAK-UNK-129dcd6f-15
0.284
MAK-UNK-30aad1f1-15
0.283
MAK-UNK-30aad1f1-9
0.283
MAK-UNK-129dcd6f-18
0.283
DAR-DIA-03336633-11
0.281
MAK-UNK-30aad1f1-16
0.281
MAK-UNK-de8f6d00-8
0.279
MAR-TRE-9d18ae8c-52
0.278
MAK-UNK-30aad1f1-3
0.275
MAK-UNK-30aad1f1-2
0.275
MAK-UNK-129dcd6f-16
0.275
AAR-UNI-c25c2f1e-40
0.274
PET-SGC-0f1d26ed-2
0.274
AAR-UNI-c25c2f1e-64
0.272
MAK-UNK-de8f6d00-7
0.271
MAK-UNK-30aad1f1-4
0.271
NIC-UNI-0cb6411b-1
0.271
AAR-UNI-c25c2f1e-78
0.271
AAR-UNI-c25c2f1e-65
0.271
CHR-SOS-7098f804-8
0.270
DAR-DIA-fc970077-9
0.269
WIL-UNI-5578df48-6
0.269
TAT-ENA-80bfd3e5-23
0.269
AAR-UNI-c25c2f1e-51
0.268
AAR-UNI-c25c2f1e-31
0.267
MAK-UNK-37f1d6fa-2
0.267
MAK-UNK-d1e89583-2
0.263
WIL-UNI-5578df48-7
0.262
AAR-UNI-c25c2f1e-30
0.262
AAR-UNI-c25c2f1e-16
0.262
WES-WAB-2b40d25a-1
0.260
AHN-SAT-de2502ba-7
0.260
BEN-DND-031a96cc-8
0.260
DAR-DIA-fc970077-14
0.259
WIL-UNI-5578df48-26
0.258