Molecular Properties | |
SMILES: | N#CCOc1cccc(CC(=O)Nn2cnc3ccccc32)c1 |
MW: | 306.11 |
Fraction sp3: | 0.12 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 79.94 |
cLogP: | 2.25 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1533000368 |
Enamine Extended REAL: | s_22____294368____7914396 |
Mcule: | MCULE-6783307301 |
Singel acyclic N-N bonds
AAR-POS-d2a4d1df-1
JAN-GHE-5a013bed-2
0.627
BAR-COM-0f94fc3d-12
0.532
MAT-POS-3b92565d-11
0.523
MAT-POS-3b92565d-10
0.461
MAT-POS-c478e61b-1
0.459
MAT-POS-3b92565d-12
0.459
BAR-COM-0f94fc3d-42
0.441
ALP-POS-8ed8d9ec-3
0.406
JAN-GHE-f4ca5a00-7
0.396
BAR-COM-0f94fc3d-24
0.396
JAN-GHE-5a013bed-3
0.385
JAN-GHE-f4ca5a00-9
0.381
MAT-POS-06036648-8
0.374
BAR-COM-0f94fc3d-10
0.362
JAN-GHE-f4ca5a00-3
0.356
ALP-POS-a3de0cb1-7
0.350
ALP-POS-a3de0cb1-12
0.348
BAR-COM-0f94fc3d-37
0.343
ALP-POS-bad7201a-7
0.343
ALP-POS-8ed8d9ec-14
0.339
KRI-MAR-d2e3ef86-2
0.337
ALP-POS-bad7201a-8
0.336
MAT-POS-c478e61b-2
0.331
BAR-COM-0f94fc3d-8
0.327
MAT-POS-bfb445d4-2
0.323
JAN-GHE-f4ca5a00-1
0.317
BAR-COM-0f94fc3d-29
0.311
ALP-POS-8ed8d9ec-9
0.307
JAN-GHE-5a013bed-4
0.303
TAT-ENA-80bfd3e5-33
0.301
JAN-GHE-f4ca5a00-14
0.295
BEN-DND-61647d40-3
0.287
JAN-GHE-f4ca5a00-16
0.284
JAN-GHE-5a013bed-5
0.282
JIN-POS-6dc588a4-1
0.281
BEN-DND-61647d40-13
0.281
BEN-DND-02317c5c-11
0.281
JAN-GHE-74b8b0cb-1
0.274
MAT-POS-c79fcd02-1
0.270
MAK-UNK-af83ef51-20
0.270
EDJ-MED-50fe53e8-3
0.265
VLA-UNK-dc1d9354-1
0.265
JIN-POS-6dc588a4-9
0.265
JAN-GHE-5a013bed-1
0.264
JIN-POS-6dc588a4-24
0.260
EDJ-MED-c8e7a002-8
0.260
MAR-TRE-4b834d9a-3
0.259
MAR-TRE-a3327163-28
0.258
MAR-TRE-3e4e6814-72
0.252
ANN-UNI-98d2bf15-5
0.250
TAT-ENA-80bfd3e5-19
0.250
NAU-LAT-a5c7d7cb-11
0.250
NAU-LAT-e1818702-9
0.250
JIN-POS-6dc588a4-21
0.248
EDJ-MED-c8e7a002-17
0.248
MAK-UNK-6ca90168-23
0.247
VLA-UNK-4cf5aa07-2
0.247
EDJ-MED-e58735b6-1
0.247
MAT-POS-162a9720-10
0.247
ALP-POS-ddb41b15-9
0.246
MAT-POS-3b92565d-13
0.245
JOH-UNI-6fede743-2
0.245
RAL-THA-2d450e86-11
0.245
MAT-POS-0c8fa4a7-3
0.245
TAT-ENA-80bfd3e5-12
0.244
JAN-GHE-f4ca5a00-17
0.242
ALP-POS-3b848b35-3
0.242
MAR-TRE-04c86cea-58
0.241
BEN-DND-1e24cf73-5
0.240
JIN-POS-6dc588a4-7
0.240
MAR-TRE-d0525fbf-22
0.239
JAN-GHE-5a013bed-8
0.239
JAN-GHE-f4ca5a00-8
0.238
MAR-TRE-b77b7921-10
0.238
JIN-POS-6dc588a4-17
0.238
MAT-POS-0c8fa4a7-4
0.238
AAR-POS-8a4e0f60-10
0.237
VLA-UNK-4cf5aa07-1
0.237
PET-UNK-158bee2a-1
0.237
AGN-NEW-c7b24fe3-4
0.237
MAR-TRE-92684b97-49
0.236
BEN-DND-61647d40-2
0.236
EDJ-MED-c8e7a002-7
0.235
BEN-DND-1e24cf73-6
0.234
SAD-SAT-24589cd1-1
0.233
SAD-SAT-24589cd1-5
0.232
ALP-POS-95b75b4d-9
0.232
MAK-UNK-849bee6c-12
0.231
PET-UNK-a692de38-1
0.231
ALP-POS-ddb41b15-8
0.231
JOH-UNI-3fc3434e-8
0.231
JOH-UNI-ee5ed7c8-8
0.231
VLA-UCB-00f2c2b3-7
0.230
MAR-TRE-a9136c7b-45
0.229
UNK-UNK-2ede4078-51
0.229
MAT-POS-0c8fa4a7-2
0.229
RUB-POS-1325a9ea-17
0.228
BEN-DND-02317c5c-10
0.228
JAN-GHE-f4ca5a00-10
0.227
ANN-UNI-26382800-5
0.227