Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CC(C2CC2Cl)C1 |
MW: | None |
Fraction sp3: | None |
HBA: | None |
HBD: | None |
Rotatable Bonds: | None |
TPSA: | None |
cLogP: | None |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
secondary_halide_sulfate
Alkyl Halide
VLA-UCB-1dbca3b4-15
EDJ-MED-e4b030d8-12
0.512
MAT-POS-8e4737f4-2
0.512
LON-WEI-af038623-3
0.508
RAL-THA-05e671eb-32
0.500
RAL-THA-05e671eb-21
0.500
FRA-DIA-0fa076fe-1
0.500
FRA-DIA-c7e803f4-1
0.500
EDJ-MED-12c115cc-1
0.481
MAT-POS-f7918075-2
0.481
MAT-POS-bbbbc21a-2
0.481
EDJ-MED-12c115cc-2
0.481
DAR-DIA-6a508060-12
0.478
ALF-EVA-b701bd13-4
0.476
ALP-POS-869ac754-2
0.476
ALP-UNI-c3ef0aba-1
0.476
MAK-UNK-c749d764-26
0.475
RAL-THA-2d450e86-1
0.471
MIC-UNK-8758c41d-3
0.471
VLA-UNK-56836b69-1
0.471
ALP-POS-fe871b40-16
0.471
MAR-UCB-6ab2ec87-4
0.470
RAL-THA-05e671eb-1
0.469
RAL-THA-2d450e86-36
0.466
ALP-POS-347519b5-1
0.465
ALP-POS-ce760d3f-1
0.465
ALP-POS-869ac754-1
0.464
RYA-UNI-6d7114fd-1
0.464
BEN-DND-a02b439d-14
0.464
RAL-THA-05e671eb-2
0.464
FRA-DIA-0fa076fe-2
0.463
ALF-EVA-ced740bd-4
0.463
RAL-THA-05e671eb-22
0.463
MAK-UNK-ffc90da7-2
0.463
MAK-UNK-c749d764-12
0.463
DAR-DIA-0d514e7d-32
0.462
MAT-POS-afd4d4fd-3
0.461
ALF-EVA-b701bd13-6
0.460
DAR-DIA-0d514e7d-33
0.460
VLA-UCB-1dbca3b4-15
0.459
MAT-POS-3ccb8ef6-2
0.459
MAT-POS-b3e365b9-2
0.459
MAT-POS-b3e365b9-1
0.459
MAT-POS-f9802937-9
0.459
MAT-POS-f7918075-1
0.459
PET-UNK-c0891748-2
0.459
EDJ-MED-e4b030d8-9
0.459
BEN-DND-f2e727cd-5
0.459
EDJ-MED-12f7f543-1
0.459
RAL-THA-05e671eb-3
0.459
PET-UNK-c0891748-8
0.459
RAL-THA-05e671eb-25
0.459
ALP-UNI-3735e77e-4
0.459
MAT-POS-78e1d523-5
0.459
ALP-POS-fe871b40-5
0.459
MAT-POS-78e1d523-6
0.459
MAT-POS-f9802937-8
0.459
RAL-THA-05e671eb-13
0.459
MAT-POS-3ccb8ef6-1
0.459
MAT-POS-d8472c4f-5
0.459
NAU-LAT-2fed8305-4
0.456
ALP-POS-fe871b40-15
0.455
RAL-THA-05e671eb-26
0.453
DAR-DIA-9f765dc6-6
0.453
ALP-POS-c86619f0-1
0.453
DAR-DIA-9f765dc6-5
0.453
BEN-BAS-c2bc0d80-4
0.453
EDJ-MED-e4b030d8-10
0.453
MAT-POS-43c25e9b-1
0.453
DAR-DIA-9f765dc6-2
0.453
MAT-POS-43c25e9b-2
0.453
ALP-UNI-4b8a177c-1
0.453
MIC-UNK-45817b9b-1
0.453
ALP-UNI-3735e77e-2
0.453
RAL-THA-05e671eb-27
0.453
EDJ-MED-a6bd50ad-1
0.453
RAL-THA-05e671eb-16
0.453
MAR-UCB-6ab2ec87-1
0.452
BEN-BAS-c2bc0d80-1
0.452
PET-UNK-022eab87-1
0.452
DAR-DIA-70d163b2-3
0.452
RYA-UNI-14580791-1
0.452
MAK-UNK-919546f0-5
0.452
EDJ-MED-e9a22d5d-1
0.451
MAT-POS-43fe65f4-1
0.449
DAR-DIA-6a508060-4
0.449
EDJ-MED-e4b030d8-7
0.449
RAL-THA-05e671eb-19
0.449
RAL-THA-2d450e86-19
0.449
ADA-UCB-dc2b944c-14
0.448
ADA-UCB-dc2b944c-13
0.448
MAT-POS-8a69d52e-6
0.448
ALF-EVA-82cf4849-1
0.448
ADA-UCB-dc2b944c-15
0.448
EDJ-MED-e4b030d8-8
0.448
EDJ-MED-e4b030d8-11
0.448
MAT-POS-8a69d52e-4
0.448
MAT-POS-8a69d52e-5
0.448
BRU-THA-01b12488-1
0.448
MAT-POS-8a69d52e-7
0.448
ROB-UNI-611831f5-2
0.448