Molecular Properties | |
SMILES: | N#CCNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O |
MW: | 258.08 |
Fraction sp3: | 0.17 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 107.75 |
cLogP: | -0.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8776321451 |
MolPort: | MolPort-000-847-357 |
cyanohydrin
Filter82_pyridinium
N-C-Hal or cyano methyl
cyanamide
MAR-TRE-a3327163-3
0.667
MAR-TRE-fd17a9b8-10
0.551
MAR-TRE-fd17a9b8-20
0.537
MAR-TRE-fd17a9b8-1
0.494
MAR-TRE-3e4e6814-100
0.427
MAR-TRE-fd17a9b8-67
0.427
MAR-TRE-fd17a9b8-69
0.424
MAR-TRE-66ac689e-91
0.420
MAR-TRE-fd17a9b8-55
0.412
MAR-TRE-fd17a9b8-24
0.398
AAR-UNI-c25c2f1e-66
0.395
MAR-TRE-fd17a9b8-39
0.391
MAR-TRE-4b834d9a-82
0.391
MAR-TRE-fd17a9b8-9
0.386
MAR-TRE-fd17a9b8-5
0.371
KEI-TRE-d5e2018a-23
0.322
MAR-TRE-4b834d9a-27
0.322
MAR-TRE-7f7bb9f0-100
0.312
ERI-UCB-ce40166b-25
0.305
EDJ-MED-54fbebd8-4
0.291
BEN-DND-61647d40-4
0.290
MAT-POS-5cd9ea36-15
0.287
LON-WEI-4d77710c-3
0.284
LON-WEI-5e7d1b3e-3
0.284
MAR-UCB-f313ec4d-1
0.280
MAT-POS-916a2c5a-2
0.280
EDJ-MED-036ae2e9-5
0.279
MAR-UCB-f313ec4d-4
0.277
BAR-COM-4e090d3a-51
0.273
ROB-UNI-daaf9793-1
0.273
MAT-POS-e1b5ac6b-1
0.273
MAR-TRE-a3327163-36
0.272
MAT-POS-ea426761-14
0.270
BEN-DND-61647d40-14
0.270
ERI-UCB-a0b0dbcb-14
0.268
MAR-TRE-6c5ef77a-57
0.267
BEN-DND-7e92b6ca-2
0.266
ALP-POS-ecbed2ba-14
0.265
MAR-TRE-3e4e6814-5
0.264
MAT-POS-3b92565d-5
0.263
MAR-TRE-0fda4e82-70
0.263
MAR-TRE-4b834d9a-23
0.263
MAR-TRE-92684b97-53
0.261
BEN-DND-7e92b6ca-3
0.261
ALP-UNI-ed5cdfd2-7
0.261
MAR-TRE-0fda4e82-64
0.260
BEN-DND-7e92b6ca-5
0.258
MAR-TRE-f6f5f473-94
0.258
ADA-UCB-b1b30a00-1
0.258
MAR-TRE-b77b7921-46
0.257
MAR-TRE-1c920f6f-59
0.257
DAR-DIA-8e329c92-6
0.255
MAR-TRE-3e4e6814-73
0.255
NAU-LAT-30527ac5-3
0.255
MAR-TRE-f6f5f473-55
0.255
MAR-TRE-04c86cea-2
0.255
MAR-TRE-f6f5f473-21
0.255
BEN-DND-7e92b6ca-6
0.253
ERI-UCB-a0b0dbcb-8
0.253
ALP-POS-05819dc4-1
0.250
WIL-NOV-649f4ed0-4
0.250
MAR-TRE-4b834d9a-8
0.250
MAR-TRE-0fda4e82-88
0.250
MAR-TRE-74c6519b-45
0.250
ALP-POS-3fc1724e-1
0.250
MAT-POS-e1b5ac6b-2
0.250
MAT-POS-3b92565d-4
0.250
MAT-POS-b5746674-18
0.248
MAR-TRE-04c86cea-58
0.248
MAR-TRE-74c6519b-2
0.248
MAR-TRE-b77b7921-45
0.248
MAR-TRE-4b834d9a-52
0.248
MAR-TRE-b77b7921-1
0.248
DAR-DIA-8e329c92-10
0.247
ERI-UCB-a0b0dbcb-3
0.247
MAR-TRE-d0525fbf-43
0.247
MAT-POS-54c4bf04-1
0.247
MAR-TRE-b77b7921-54
0.247
VLA-UCB-1dbca3b4-2
0.247
BEN-DND-7e92b6ca-4
0.247
VLA-UNK-dc1d9354-1
0.247
MAR-TRE-0fda4e82-58
0.247
VLA-UCB-38f570bb-1
0.245
MAR-TRE-d0525fbf-79
0.245
MAR-TRE-fd17a9b8-89
0.245
MAR-TRE-3e4e6814-12
0.245
MAR-TRE-4b834d9a-7
0.245
EDJ-MED-ede277f6-5
0.243
MAT-POS-b5746674-47
0.243
ADA-UCB-6c2cb422-8
0.243
MAR-TRE-d0525fbf-70
0.243
MAR-TRE-74c6519b-20
0.243
DAR-DIA-8e329c92-5
0.243
ALP-POS-75715966-3
0.243
MAR-TRE-74c6519b-86
0.243
MAR-TRE-d0525fbf-37
0.243
MAR-TRE-04c86cea-92
0.243
MAR-TRE-d0525fbf-28
0.242
MAR-TRE-f6f5f473-34
0.242
NAU-LAT-56d5284e-6
0.242