Molecular Properties | |
SMILES: | O=C(Nc1cccc(C2(Cl)CC2)c1)Nc1cncc2ccccc12 |
MW: | 337.1 |
Fraction sp3: | 0.16 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 54.02 |
cLogP: | 5.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
tertiary_halide_sulfate
Filter6_benzyl_halide
Alkyl Halide
DAR-DIA-0cde14eb-50
0.740
DAR-DIA-0cde14eb-52
0.730
DAR-DIA-0cde14eb-53
0.730
DAR-DIA-0cde14eb-54
0.711
DAR-DIA-0cde14eb-56
0.578
DAR-DIA-0cde14eb-47
0.573
DAR-DIA-0cde14eb-6
0.564
DAR-DIA-0cde14eb-36
0.529
NAU-LAT-2fed8305-2
0.488
DAR-DIA-0cde14eb-55
0.449
NAU-LAT-2fed8305-7
0.443
DAR-DIA-0cde14eb-60
0.441
DAR-DIA-0cde14eb-57
0.440
DAR-DIA-0cde14eb-58
0.440
DAR-DIA-6a508060-11
0.439
LON-WEI-af038623-3
0.438
DAR-DIA-0cde14eb-46
0.438
DAR-DIA-0cde14eb-48
0.438
MAT-POS-de59a476-1
0.435
MAT-POS-fce787c2-4
0.435
DAR-DIA-0cde14eb-59
0.435
DAR-DIA-0cde14eb-49
0.433
RYA-UNI-14580791-1
0.432
ALP-POS-f13221e1-3
0.430
MAT-POS-fce787c2-2
0.422
MAT-POS-8d5af1ef-1
0.421
VLA-UNK-9a7dc93f-3
0.417
RAL-THA-2d450e86-19
0.414
NAU-LAT-2fed8305-1
0.414
RAL-THA-05e671eb-21
0.413
RAL-THA-05e671eb-18
0.412
ADA-UCB-6c2cb422-1
0.412
MAT-POS-23a8a11a-1
0.412
NAU-LAT-2fed8305-9
0.412
FRA-DIA-0fa076fe-1
0.411
FRA-DIA-c7e803f4-1
0.411
EDJ-MED-12f7f543-1
0.411
PET-UNK-c0891748-2
0.411
ALP-POS-fe871b40-5
0.411
RAL-THA-05e671eb-25
0.411
PET-UNK-c0891748-8
0.411
RAL-THA-2d450e86-2
0.410
RAL-THA-2d450e86-36
0.410
MAT-POS-fce787c2-11
0.409
ALF-EVA-b701bd13-4
0.409
ALP-POS-869ac754-2
0.409
MAK-UNK-919546f0-4
0.407
DAR-DIA-0cde14eb-5
0.407
MAT-POS-afd4d4fd-3
0.407
MAT-POS-43c25e9b-1
0.406
MAT-POS-f39f51fd-1
0.406
EDJ-MED-a6bd50ad-1
0.406
MAT-POS-43c25e9b-2
0.406
MIC-UNK-8758c41d-3
0.406
ALP-POS-fe871b40-16
0.406
MIC-UNK-45817b9b-1
0.406
VLA-UNK-56836b69-1
0.406
RAL-THA-2d450e86-30
0.405
NAU-LAT-2fed8305-4
0.404
BEN-BAS-c2bc0d80-1
0.404
EDJ-MED-e4b030d8-5
0.404
EDJ-MED-e4b030d8-7
0.404
DAR-DIA-6a508060-4
0.404
RAL-THA-05e671eb-19
0.404
MAT-POS-43fe65f4-1
0.404
MAT-POS-fce787c2-6
0.402
NAU-LAT-2fed8305-5
0.402
MAT-POS-fce787c2-3
0.402
ALP-POS-ddb41b15-6
0.402
MAT-POS-1f3f1a6f-1
0.402
DAR-DIA-0f2f46c9-12
0.402
MAT-POS-2e8b2191-2
0.402
ADA-UCB-dc2b944c-16
0.402
RAL-THA-05e671eb-2
0.400
RAL-THA-2d450e86-21
0.400
ALP-POS-fe871b40-13
0.400
MAT-POS-fce787c2-8
0.400
ALP-POS-869ac754-1
0.400
RYA-UNI-6d7114fd-1
0.400
VLA-UNK-9a7dc93f-7
0.400
ALP-POS-fe871b40-14
0.398
MAT-POS-bbbbc21a-2
0.398
RAL-THA-05e671eb-22
0.398
MAT-POS-f7918075-2
0.398
EDJ-MED-12c115cc-1
0.398
FRA-DIA-0fa076fe-2
0.398
EDJ-MED-12c115cc-2
0.398
RAL-THA-2d450e86-20
0.398
RAL-THA-2d450e86-24
0.398
MAT-POS-afd4d4fd-1
0.398
PET-UNK-dd44aeb6-2
0.398
MAK-UNK-f481d203-3
0.398
MAK-UNK-f481d203-4
0.398
MAK-UNK-919546f0-2
0.398
ALP-POS-477dc5b7-1
0.396
MIC-UNK-91acba05-4
0.396
RAL-THA-05e671eb-23
0.396
RAL-THA-05e671eb-3
0.396
RAL-THA-05e671eb-34
0.396
RAL-THA-05e671eb-24
0.396