Molecular Properties | |
SMILES: | Cc1ccncc1N1C(=O)CCN(CCC(N)=O)C1=O |
MW: | 276.296 |
Fraction sp3: | 0.38 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 96.6 |
cLogP: | 0.42412 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
KIM-UNI-60f168f5-5
0.825
KIM-UNI-60f168f5-4
0.717
KIM-UNI-60f168f5-3
0.661
KIM-UNI-60f168f5-11
0.532
KIM-UNI-60f168f5-10
0.463
KIM-UNI-60f168f5-2
0.438
PET-UNK-5eca9d1d-3
0.416
KIM-UNI-60f168f5-9
0.393
KIM-UNI-60f168f5-8
0.386
PET-UNK-7a31b064-4
0.356
KIM-UNI-60f168f5-7
0.353
VLA-UCB-1dbca3b4-4
0.341
PET-UNK-7a31b064-3
0.337
PET-UNK-eda34f30-1
0.318
BEN-DND-22e6b372-4
0.316
BEN-DND-6de5dfa0-5
0.312
BEN-DND-22e6b372-3
0.309
JAG-UCB-cedd89ab-1
0.309
IND-SYN-2c708b29-1
0.308
BEN-DND-22e6b372-2
0.301
DOU-UNK-b5326f8f-8
0.299
BEN-DND-93268d01-9
0.299
BEN-DND-09b88bf4-5
0.299
VLA-UCB-00f2c2b3-5
0.298
BEN-DND-6de5dfa0-26
0.295
VLA-UCB-00f2c2b3-6
0.294
MIC-UNK-e8a42ca9-2
0.292
EDJ-MED-e66f2cc5-1
0.291
EDJ-MED-49816e9b-4
0.291
AGN-NEW-63f62ae9-2
0.284
AGN-NEW-63f62ae9-1
0.284
ALE-HEI-f28a35b5-12
0.284
MIC-UNK-e8a42ca9-1
0.283
PET-SGC-05cff2e1-1
0.283
BEN-DND-93268d01-11
0.282
DAR-DIA-b80f1cd7-2
0.281
PET-UNK-5eca9d1d-2
0.279
BEN-DND-22e6b372-1
0.279
BEN-DND-93268d01-10
0.278
ASH-SAT-43770c7d-9
0.278
BEN-DND-6de5dfa0-4
0.277
BEN-DND-09b88bf4-4
0.277
MAK-UNK-6435e6c2-8
0.277
AAR-POS-d2a4d1df-3
0.277
SCO-VAN-260d9628-1
0.276
ALE-HEI-f28a35b5-17
0.276
DOU-UNK-b5326f8f-4
0.276
MAT-POS-590ac91e-17
0.275
BEN-DND-93268d01-8
0.275
EDJ-MED-3c65e9ce-1
0.275
BEN-DND-09b88bf4-6
0.274
BEN-DND-6de5dfa0-16
0.274
NIR-THE-b7e8e081-2
0.274
BEN-DND-6de5dfa0-7
0.274
PET-SGC-6e7c5dc0-1
0.273
STE-UNK-4e3fa4d2-1
0.272
BEN-DND-6de5dfa0-25
0.272
EDJ-MED-3c65e9ce-4
0.272
NAU-LAT-3f5f3993-7
0.271
JAN-GHE-d851b096-6
0.270
BEN-DND-6de5dfa0-8
0.270
MAK-UNK-372b0df5-1
0.270
BEN-DND-6de5dfa0-17
0.268
BEN-DND-6de5dfa0-27
0.268
BEN-DND-6de5dfa0-15
0.267
ERI-UCB-5b47150d-3
0.267
MAT-POS-590ac91e-23
0.266
BEN-DND-09b88bf4-3
0.265
BEN-DND-6de5dfa0-3
0.265
NAU-LAT-3f5f3993-5
0.265
PET-UNK-94460c07-3
0.264
ADA-UCB-6c2cb422-7
0.263
MAT-POS-590ac91e-10
0.263
NIR-THE-b7e8e081-1
0.262
BEN-DND-03406596-7
0.262
BEN-DND-09b88bf4-2
0.262
BEN-DND-6de5dfa0-1
0.262
ALP-POS-95b75b4d-11
0.261
BEN-DND-6de5dfa0-13
0.261
BEN-DND-93268d01-12
0.261
MAT-POS-590ac91e-8
0.259
ANN-UNI-98d2bf15-1
0.259
JOH-UNI-abfda500-6
0.259
MAT-POS-590ac91e-15
0.259
DAR-DIA-076fb6ea-16
0.258
BEN-DND-6de5dfa0-9
0.258
BAR-COM-0f94fc3d-48
0.258
VLA-UCB-00f2c2b3-3
0.256
EDJ-MED-49816e9b-1
0.256
BEN-DND-6de5dfa0-14
0.256
NAU-LAT-3f5f3993-8
0.256
PET-UNK-5eca9d1d-1
0.256
NAU-LAT-3f5f3993-3
0.256
MIC-UNK-df342a3f-2
0.255
HAR-NEW-e34cb1ae-4
0.255
MAK-UNK-6ca90168-26
0.254
ERI-UCB-5b47150d-4
0.253
MAT-POS-590ac91e-7
0.253
BEN-DND-09b88bf4-8
0.253
BEN-DND-6de5dfa0-6
0.253