Molecular Properties | |
SMILES: | CN(C)c1ccc(N(C(=O)Cn2nnc3ccccc32)c2cc(Cl)cc(OC3CC(=O)N3)c2)cc1 |
MW: | 490.15 |
Fraction sp3: | 0.2 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 92.59 |
cLogP: | 3.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
betalactam
N,N-Dialkyl aniline derivatives (2)
b-lactam
DAR-DIA-667e571f-4
0.837
DAR-DIA-667e571f-3
0.833
DAR-DIA-667e571f-5
0.777
DAR-DIA-667e571f-6
0.767
MAT-POS-06036648-2
0.731
DAR-DIA-667e571f-7
0.645
MAT-POS-06036648-1
0.604
MAT-POS-06036648-6
0.598
MAT-POS-06036648-4
0.560
DAR-DIA-667e571f-1
0.547
DAR-DIA-093892e4-3
0.505
DAR-DIA-093892e4-2
0.495
DAR-DIA-093892e4-7
0.490
MAT-POS-06036648-5
0.486
PET-UNK-1901c25b-3
0.472
PET-UNK-7374c256-2
0.472
DAR-DIA-093892e4-10
0.465
ALP-POS-6d04362c-2
0.463
ALP-POS-bad7201a-15
0.463
CHO-MSK-00c5269a-3
0.463
MAT-POS-06036648-3
0.455
DAR-DIA-093892e4-6
0.451
DAR-DIA-093892e4-4
0.448
DAR-DIA-093892e4-1
0.447
DAR-DIA-53551c05-13
0.446
ALP-POS-6d04362c-1
0.438
ALP-POS-87c86d55-1
0.431
DAR-DIA-093892e4-8
0.427
ALP-POS-d2866bdf-1
0.418
VLA-UCB-34f3ed0c-2
0.416
ALP-POS-75715966-1
0.414
ALP-POS-75715966-5
0.412
DAR-DIA-093892e4-5
0.412
DAR-DIA-093892e4-9
0.410
DAR-DIA-093892e4-12
0.405
RYA-UNI-8a7f7a0d-1
0.405
CHO-MSK-00c5269a-2
0.400
MAR-LAB-ca4662a6-7
0.398
EDJ-MED-06d94977-2
0.396
UNK-UNK-2ede4078-94
0.393
CHO-MSK-00c5269a-1
0.386
UNK-UNK-2ede4078-81
0.382
MAT-POS-06036648-9
0.382
OLG-UNK-911c2067-1
0.377
DAR-DIA-093892e4-11
0.376
PET-UNK-b75fdf9f-1
0.375
ALP-POS-c0c213c9-13
0.374
MAR-UCB-ad2ff052-1
0.374
MAT-POS-3b92565d-12
0.370
MAT-POS-c478e61b-1
0.370
RAL-THA-4a5dabff-2
0.368
AAR-POS-8a4e0f60-7
0.368
ALP-POS-a30bcdb4-1
0.364
MAR-UCB-ad2ff052-2
0.364
EDJ-MED-06d94977-1
0.364
ALP-POS-bad7201a-5
0.359
RUT-UNI-630c5802-27
0.358
CHO-MSK-00c5269a-4
0.358
CHO-MSK-00c5269a-5
0.358
RUT-UNI-630c5802-26
0.353
ALP-POS-7c842ab8-1
0.352
ANT-DIA-62e4526e-1
0.350
ALF-EVA-650655fc-1
0.349
RAL-THA-4a5dabff-5
0.347
AAR-POS-8a4e0f60-8
0.347
MAR-LAB-ff9967db-30
0.347
WIL-UNI-2e73223c-2
0.347
JAN-GHE-74b8b0cb-2
0.346
MAR-UCB-ad2ff052-3
0.346
DAR-DIA-1d7f034a-1
0.346
JAN-GHE-74b8b0cb-1
0.344
ALP-POS-c59291d4-3
0.344
VLA-UCB-05e51b3f-8
0.342
VLA-UCB-50c39ae8-5
0.342
AAR-POS-8a4e0f60-1
0.342
ALP-POS-c0c213c9-18
0.342
ALP-POS-c0c213c9-3
0.341
ALP-POS-c59291d4-4
0.339
ALF-EVA-650655fc-2
0.338
RAL-THA-4a5dabff-1
0.336
ALP-POS-bad7201a-14
0.336
ALP-POS-a30bcdb4-2
0.336
ALF-EVA-650655fc-4
0.336
RUT-UNI-630c5802-22
0.333
ALF-EVA-650655fc-3
0.333
BEN-DND-61647d40-12
0.333
MAT-POS-3b92565d-14
0.333
RAL-THA-4a5dabff-3
0.333
BEN-DND-02317c5c-12
0.333
MAT-POS-bfb445d4-1
0.333
PET-UNK-1901c25b-2
0.333
MAR-LAB-ff9967db-4
0.333
ALP-POS-6d04362c-5
0.333
ROB-IMP-e811baff-1
0.333
MAT-POS-c478e61b-2
0.331
ALP-POS-87c86d55-2
0.331
ALP-POS-c0c213c9-6
0.331
MAD-UNK-b1ea4171-1
0.331
MAD-UNK-84a4f939-1
0.331
RUT-UNI-630c5802-24
0.331