Molecular Properties | |
SMILES: | O=C(NCc1cccc(COc2ccccc2)c1)Nn1cnc2ccccc21 |
MW: | 372.16 |
Fraction sp3: | 0.09 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 68.18 |
cLogP: | 4.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine Extended REAL: | s_512____211527____1201676 |
Singel acyclic N-N bonds
AAR-POS-d2a4d1df-1
BAR-COM-0f94fc3d-10
0.524
BAR-COM-0f94fc3d-32
0.441
JAN-GHE-5a013bed-2
0.435
BAR-COM-0f94fc3d-12
0.407
MAT-POS-3b92565d-11
0.394
ALP-POS-8ed8d9ec-3
0.392
MAT-POS-3b92565d-10
0.383
BAR-COM-0f94fc3d-24
0.380
JAN-GHE-f4ca5a00-7
0.380
KRI-MAR-d2e3ef86-2
0.378
ALP-POS-bad7201a-8
0.375
JAN-GHE-f4ca5a00-9
0.367
BAR-COM-0f94fc3d-8
0.366
BAR-COM-0f94fc3d-37
0.356
MAT-POS-c478e61b-2
0.353
BAR-COM-0f94fc3d-29
0.350
MAT-POS-3b92565d-12
0.349
MAT-POS-c478e61b-1
0.349
ALP-POS-a3de0cb1-12
0.348
MAT-POS-06036648-8
0.347
ALP-POS-a3de0cb1-7
0.337
JAN-GHE-f4ca5a00-3
0.330
JAN-GHE-f4ca5a00-1
0.330
TAT-ENA-80bfd3e5-33
0.324
MAR-TRE-799db12b-44
0.309
ALP-POS-8ed8d9ec-9
0.307
ALP-POS-bad7201a-7
0.306
ALP-POS-8ed8d9ec-14
0.304
JAN-GHE-5a013bed-3
0.286
MAT-POS-3b92565d-13
0.283
MAT-POS-c79fcd02-1
0.282
MAR-TRE-3e4e6814-14
0.280
AAR-UNI-c25c2f1e-25
0.275
MAR-TRE-d0525fbf-22
0.272
SAD-SAT-135344c3-9
0.267
AAR-UNI-c25c2f1e-82
0.263
MAR-TRE-04c86cea-58
0.263
AAR-UNI-c25c2f1e-78
0.263
AAR-UNI-c25c2f1e-35
0.260
MAR-TRE-8190bb11-34
0.260
MAR-TRE-4b834d9a-3
0.259
MAR-TRE-4b834d9a-22
0.257
MAR-TRE-04c86cea-6
0.257
MAR-TRE-fd17a9b8-37
0.256
ALE-UNK-fca05062-4
0.256
JIN-POS-6dc588a4-1
0.255
BEN-DND-02317c5c-11
0.255
BEN-DND-61647d40-13
0.255
MAR-TRE-3e4e6814-5
0.255
AAR-UNI-c25c2f1e-2
0.250
AAR-UNI-c25c2f1e-101
0.250
JAN-GHE-f4ca5a00-8
0.250
JAN-GHE-f4ca5a00-10
0.250
MAR-TRE-b77b7921-10
0.248
AAR-UNI-c25c2f1e-31
0.247
AAR-POS-8a4e0f60-6
0.245
LUI-IND-2c46affe-3
0.245
AAR-POS-8a4e0f60-8
0.243
BAR-COM-0f94fc3d-33
0.243
EDJ-MED-06d94977-2
0.243
MAR-LAB-ff9967db-12
0.242
MAR-TRE-14ce9fd6-100
0.242
BAR-COM-4e090d3a-64
0.241
MAR-TRE-74c6519b-25
0.241
TRY-UNI-1fd04853-6
0.240
MAR-TRE-92684b97-82
0.240
MAR-TRE-74c6519b-60
0.239
MAR-TRE-b77b7921-46
0.239
MAR-TRE-04c86cea-60
0.239
MAK-UNK-009ebe36-7
0.239
MAR-TRE-4b834d9a-25
0.239
BEN-DND-61647d40-3
0.238
TAT-ENA-80bfd3e5-19
0.238
AAR-POS-8a4e0f60-10
0.237
MAR-TRE-b77b7921-8
0.237
MAR-TRE-74c6519b-27
0.236
MAT-POS-06036648-7
0.236
AAR-POS-8a4e0f60-4
0.236
AAR-UNI-c25c2f1e-56
0.235
MAT-POS-162a9720-10
0.233
MAR-TRE-9d18ae8c-52
0.233
MAR-TRE-4b834d9a-23
0.232
SAD-SAT-29425be4-9
0.231
MAR-TRE-b77b7921-11
0.231
MAR-TRE-04c86cea-20
0.231
JAN-GHE-74b8b0cb-1
0.231
MAR-TRE-3e4e6814-7
0.230
MAT-POS-bfb445d4-2
0.230
AAR-UNI-c25c2f1e-7
0.229
MAR-TRE-4b834d9a-2
0.229
MAR-TRE-d0525fbf-6
0.229
MAR-TRE-3e4e6814-2
0.229
MAR-TRE-a9136c7b-45
0.229
IAN-BAS-09a74a47-1
0.228
MAR-TRE-4b834d9a-5
0.228
MAR-TRE-4b834d9a-18
0.228
MAR-TRE-4b834d9a-94
0.228
MAR-TRE-4f781e27-80
0.228
MAR-UNI-c84db004-9
0.228
MAR-TRE-3e4e6814-12
0.227