Molecular Properties | |
SMILES: | O=C(Cc1cc(Cl)cc(Cl)c1)Nn1cnc2ccccc21 |
MW: | 319.03 |
Fraction sp3: | 0.07 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 46.92 |
cLogP: | 3.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | s_22____294368____12305212 |
Singel acyclic N-N bonds
AAR-POS-d2a4d1df-1
MAT-POS-3b92565d-11
0.735
JAN-GHE-5a013bed-2
0.730
MAT-POS-c478e61b-1
0.625
MAT-POS-3b92565d-12
0.625
MAT-POS-3b92565d-10
0.603
BAR-COM-0f94fc3d-32
0.532
JAN-GHE-f4ca5a00-7
0.500
BAR-COM-0f94fc3d-24
0.481
JAN-GHE-f4ca5a00-3
0.476
ALP-POS-8ed8d9ec-3
0.466
JAN-GHE-f4ca5a00-9
0.458
KRI-MAR-d2e3ef86-2
0.435
MAT-POS-06036648-8
0.430
ALP-POS-a3de0cb1-12
0.423
BAR-COM-0f94fc3d-10
0.420
JAN-GHE-5a013bed-3
0.412
JAN-GHE-f4ca5a00-1
0.409
BAR-COM-0f94fc3d-42
0.407
ALP-POS-a3de0cb1-7
0.385
JAN-GHE-74b8b0cb-1
0.379
MAT-POS-c478e61b-2
0.371
ALP-POS-bad7201a-8
0.368
BAR-COM-0f94fc3d-37
0.363
ALP-POS-bad7201a-7
0.361
BAR-COM-0f94fc3d-8
0.359
JIN-POS-6dc588a4-1
0.358
MAT-POS-bfb445d4-2
0.358
BEN-DND-61647d40-13
0.358
BEN-DND-02317c5c-11
0.358
ALP-POS-8ed8d9ec-14
0.356
BAR-COM-0f94fc3d-29
0.355
JAN-GHE-5a013bed-4
0.338
ALP-POS-8ed8d9ec-9
0.333
JAG-UCB-cedd89ab-3
0.333
TAT-ENA-80bfd3e5-33
0.327
DAR-DIA-093892e4-7
0.326
JAN-GHE-f4ca5a00-14
0.325
MAT-POS-fce787c2-2
0.317
JAN-GHE-5a013bed-5
0.315
JAN-GHE-f4ca5a00-8
0.315
JAN-GHE-f4ca5a00-16
0.313
EDJ-MED-50fe53e8-3
0.306
MAT-POS-3b92565d-13
0.295
EDJ-MED-06d94977-2
0.292
JIN-POS-6dc588a4-9
0.291
VLA-UNK-dc1d9354-1
0.291
MAT-POS-162a9720-10
0.289
NAU-LAT-a5c7d7cb-11
0.287
JAN-GHE-f4ca5a00-5
0.286
MAT-POS-0c8fa4a7-3
0.282
ALP-POS-3b848b35-3
0.279
PET-UNK-158bee2a-4
0.278
BEN-DND-61647d40-12
0.276
MAT-POS-3b92565d-14
0.276
BEN-DND-02317c5c-12
0.276
JIN-POS-6dc588a4-7
0.276
MAT-POS-bfb445d4-1
0.276
ALP-POS-8ed8d9ec-15
0.276
JAN-GHE-5a013bed-1
0.275
PET-UNK-158bee2a-1
0.274
VLA-UNK-4cf5aa07-1
0.274
JIN-POS-6dc588a4-17
0.273
BEN-DND-61647d40-3
0.272
JAN-GHE-f4ca5a00-10
0.271
VLA-UNK-4cf5aa07-2
0.271
JIN-POS-6dc588a4-21
0.270
MAT-POS-06036648-9
0.266
JAN-GHE-f4ca5a00-17
0.264
JAN-GHE-5a013bed-11
0.263
JAN-GHE-5a013bed-8
0.263
EDJ-MED-50fe53e8-2
0.258
MAT-POS-f7918075-6
0.258
ALP-POS-6495d03e-7
0.258
NAU-LAT-e1818702-9
0.258
EDJ-MED-c8e7a002-14
0.258
EDJ-MED-50fe53e8-4
0.258
BEN-DND-02317c5c-9
0.258
TAT-ENA-80bfd3e5-19
0.258
VLA-UNK-411a133b-1
0.256
JAG-UCB-a3ef7265-15
0.256
NAU-LAT-e1818702-7
0.256
JAG-UCB-a3ef7265-17
0.256
PET-UNK-8df914d1-4
0.256
JAN-GHE-f4ca5a00-12
0.256
NAU-LAT-e1818702-1
0.256
EDJ-MED-c8e7a002-17
0.256
JIN-POS-6dc588a4-24
0.256
MAT-POS-06036648-7
0.255
ALP-POS-75715966-5
0.255
ALP-POS-a30bcdb4-1
0.255
NAM-UNK-f7c77a48-3
0.253
JIN-POS-6dc588a4-5
0.253
RAL-THA-1d44ff04-10
0.253
PET-UNK-bb7ffe78-1
0.250
NAU-LAT-e1818702-10
0.250
JAN-GHE-5a013bed-7
0.250
MAT-POS-bb423b95-6
0.250
BEN-DND-1e24cf73-4
0.250
BAR-COM-655b106d-4
0.250
EDG-MED-0da5ad92-15
0.250