Molecular Properties | |
SMILES: | O=C1CC(Oc2cc(Cl)cc(N(CCC3CCCCC3)C(=O)Cn3nnc4ccccc43)c2)N1 |
MW: | 481.19 |
Fraction sp3: | 0.44 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 89.35 |
cLogP: | 4.31 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
betalactam
b-lactam
DAR-DIA-667e571f-4
0.660
VLA-UCB-34f3ed0c-2
0.653
DAR-DIA-667e571f-2
0.645
DAR-DIA-667e571f-3
0.618
DAR-DIA-667e571f-5
0.595
DAR-DIA-667e571f-6
0.586
DAR-DIA-667e571f-1
0.537
MAR-UCB-ad2ff052-3
0.518
DAR-DIA-1d7f034a-1
0.518
MAT-POS-53907a1c-3
0.500
ALF-EVA-650655fc-3
0.471
ALF-EVA-650655fc-2
0.455
DAR-DIA-093892e4-3
0.443
ALF-EVA-650655fc-5
0.443
MAT-POS-06036648-2
0.442
DAR-DIA-53551c05-13
0.439
DAR-DIA-093892e4-2
0.436
ALF-EVA-650655fc-1
0.433
DAR-DIA-093892e4-7
0.427
MAT-POS-06036648-6
0.422
DAR-DIA-093892e4-12
0.422
RAY-UNI-5365d7e5-1
0.413
PET-UNK-1901c25b-3
0.411
PET-UNK-7374c256-2
0.411
MAT-POS-06036648-4
0.410
DAR-DIA-093892e4-10
0.408
OLG-UNK-911c2067-1
0.407
DAR-DIA-093892e4-6
0.407
DAR-DIA-093892e4-11
0.405
CHO-MSK-00c5269a-2
0.405
CHO-MSK-00c5269a-1
0.404
ALP-POS-6d04362c-2
0.404
ALP-POS-bad7201a-15
0.404
CHO-MSK-00c5269a-3
0.404
ALF-EVA-650655fc-6
0.400
ALF-EVA-650655fc-7
0.398
CHO-MSK-00c5269a-5
0.397
ALF-EVA-650655fc-8
0.394
DAR-DIA-093892e4-4
0.393
PET-UNK-b75fdf9f-1
0.393
DAR-DIA-093892e4-1
0.392
ALF-EVA-650655fc-4
0.391
DAR-DIA-093892e4-8
0.385
WIL-UNI-2e73223c-2
0.385
MAR-UCB-ad2ff052-2
0.381
ALP-POS-75715966-5
0.381
MAT-POS-06036648-1
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ALP-POS-c0c213c9-13
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ALP-POS-6d04362c-1
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MAT-POS-06036648-9
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CHO-MSK-00c5269a-4
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ALP-POS-87c86d55-1
0.374
ALP-POS-75715966-1
0.372
MAT-UCB-93f6aed8-1
0.370
DAR-DIA-093892e4-5
0.370
ALP-POS-7c842ab8-1
0.369
DAR-DIA-093892e4-9
0.369
ALP-POS-c0c213c9-3
0.369
ALP-POS-3fc1724e-5
0.367
MAT-POS-136e7878-2
0.367
ALP-POS-bad7201a-5
0.364
ALP-POS-c59291d4-1
0.364
MAT-POS-3b92565d-12
0.364
MAT-POS-c478e61b-1
0.364
RUT-UNI-630c5802-27
0.364
EDJ-MED-06d94977-2
0.364
MAR-LAB-ca4662a6-7
0.363
MAT-POS-06036648-5
0.362
ALP-POS-d2866bdf-1
0.362
RUT-UNI-630c5802-25
0.362
MAR-LAB-ff9967db-38
0.361
MAR-LAB-ff9967db-27
0.359
MAD-UNK-b1ea4171-1
0.358
ALP-POS-a30bcdb4-1
0.358
RUT-UNI-630c5802-26
0.358
ALP-POS-c0c213c9-18
0.358
MAD-UNK-84a4f939-1
0.358
ALP-POS-6d04362c-3
0.358
MAT-POS-53907a1c-2
0.355
RAL-THA-4a5dabff-1
0.354
ALP-POS-bad7201a-14
0.353
MAT-POS-06036648-3
0.352
RUT-UNI-630c5802-17
0.350
RAL-THA-4a5dabff-3
0.350
RUT-UNI-630c5802-22
0.350
ALP-POS-6d04362c-5
0.350
JAN-GHE-74b8b0cb-1
0.350
ALP-POS-c59291d4-3
0.349
UNK-UNK-2ede4078-94
0.348
VLA-UCB-50c39ae8-5
0.347
PET-UNK-b75fdf9f-2
0.347
VLA-UCB-05e51b3f-8
0.347
ALP-POS-c0c213c9-6
0.347
ALP-POS-87c86d55-2
0.347
ALP-POS-c59291d4-4
0.345
MAR-UCB-ad2ff052-1
0.345
RUT-UNI-630c5802-20
0.345
RYA-UNI-8a7f7a0d-1
0.344
ALP-POS-c0c213c9-15
0.342
AAR-POS-8a4e0f60-8
0.341