Molecular Properties | |
SMILES: | O=C1CC(Oc2cc(Cl)cc(N(C(=O)Cn3nnc4ccccc43)c3ccccc3)c2)N1 |
MW: | 447.11 |
Fraction sp3: | 0.13 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 89.35 |
cLogP: | 3.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
betalactam
b-lactam
DAR-DIA-667e571f-2
0.837
DAR-DIA-667e571f-3
0.819
DAR-DIA-667e571f-6
0.770
DAR-DIA-667e571f-5
0.762
DAR-DIA-667e571f-7
0.660
MAT-POS-06036648-2
0.592
MAT-POS-06036648-6
0.580
DAR-DIA-667e571f-1
0.574
MAT-POS-06036648-4
0.542
MAT-POS-06036648-1
0.475
MAT-POS-06036648-5
0.466
DAR-DIA-53551c05-13
0.466
UNK-UNK-2ede4078-81
0.455
MAT-POS-06036648-3
0.436
VLA-UCB-34f3ed0c-2
0.435
DAR-DIA-093892e4-3
0.420
DAR-DIA-093892e4-2
0.412
DAR-DIA-093892e4-12
0.411
RYA-UNI-8a7f7a0d-1
0.410
DAR-DIA-093892e4-7
0.402
ALP-POS-75715966-5
0.393
CHO-MSK-00c5269a-2
0.393
CHO-MSK-00c5269a-1
0.391
RAL-THA-4a5dabff-1
0.390
MAR-LAB-ca4662a6-7
0.389
EDJ-MED-06d94977-2
0.388
MAT-POS-06036648-9
0.387
MAT-POS-c478e61b-1
0.386
MAT-POS-3b92565d-12
0.386
PET-UNK-7374c256-2
0.385
PET-UNK-1901c25b-3
0.385
DAR-DIA-093892e4-10
0.385
OLG-UNK-911c2067-1
0.382
DAR-DIA-093892e4-11
0.381
ALP-POS-a30bcdb4-1
0.381
PET-UNK-b75fdf9f-1
0.380
MAR-UCB-ad2ff052-1
0.378
CHO-MSK-00c5269a-3
0.378
ALP-POS-6d04362c-2
0.378
ALP-POS-bad7201a-15
0.378
ALP-POS-c0c213c9-13
0.378
ALP-POS-6d04362c-1
0.377
MAR-LAB-ff9967db-30
0.374
UNK-UNK-2ede4078-94
0.371
ALP-POS-75715966-1
0.371
DAR-DIA-093892e4-6
0.371
DAR-DIA-093892e4-4
0.370
MAR-UCB-ad2ff052-2
0.368
DAR-DIA-093892e4-1
0.368
ALP-POS-c0c213c9-3
0.368
ALP-POS-c0c213c9-15
0.363
CHO-MSK-00c5269a-4
0.361
CHO-MSK-00c5269a-5
0.361
ALP-POS-87c86d55-1
0.360
ALP-POS-6d04362c-5
0.360
JAN-GHE-74b8b0cb-1
0.359
VLA-UCB-50c39ae8-5
0.357
VLA-UCB-05e51b3f-8
0.357
AAR-POS-8a4e0f60-1
0.357
MAR-LAB-ff9967db-24
0.357
MAT-POS-c478e61b-2
0.354
ANT-DIA-62e4526e-1
0.354
UNK-UNK-2ede4078-29
0.352
ALF-EVA-650655fc-1
0.352
ALP-POS-c59291d4-1
0.351
ALP-POS-bad7201a-5
0.351
ALP-POS-bad7201a-14
0.351
DAR-DIA-093892e4-8
0.350
UNK-UNK-2ede4078-8
0.350
MAR-UCB-ad2ff052-3
0.350
DAR-DIA-1d7f034a-1
0.350
BEN-DND-61647d40-12
0.350
MAT-POS-3b92565d-14
0.350
MAT-POS-bfb445d4-1
0.350
BEN-DND-02317c5c-12
0.350
ALP-POS-a30bcdb4-2
0.349
RAL-THA-4a5dabff-3
0.348
RAL-THA-4a5dabff-2
0.348
AAR-POS-8a4e0f60-7
0.348
ALP-POS-c59291d4-3
0.347
PET-UNK-b75fdf9f-2
0.345
MAD-UNK-84a4f939-1
0.345
MAD-UNK-b1ea4171-1
0.345
ALP-POS-c0c213c9-18
0.345
ALP-POS-7c842ab8-1
0.345
HOL-KAN-47917554-1
0.344
EDJ-MED-06d94977-1
0.343
UNK-UNK-2ede4078-18
0.342
ALF-EVA-650655fc-2
0.341
MAT-POS-3b92565d-13
0.340
AAR-POS-8a4e0f60-8
0.339
RUT-UNI-630c5802-27
0.339
WIL-UNI-2e73223c-2
0.339
JAN-GHE-74b8b0cb-2
0.339
ALP-POS-d2866bdf-1
0.336
RUT-UNI-630c5802-22
0.336
MAR-LAB-ff9967db-4
0.336
MAR-LAB-ff9967db-27
0.336
ALF-EVA-650655fc-3
0.336
DAR-DIA-093892e4-5
0.333