Molecular Properties | |
SMILES: | O=C1CC(Oc2cc(Cl)c3c(c2)[C@@H](C(=O)Nc2cncc4ccccc24)CCN3)N1 |
MW: | 422.11 |
Fraction sp3: | 0.23 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 92.35 |
cLogP: | 3.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
betalactam
p-Alkoxy-N-alkyl anilines
b-lactam
FRA-DIA-b66f7109-1
0.780
ALP-UNI-ba800595-1
0.678
FRA-DIA-b66f7109-3
0.677
FRA-DIA-b66f7109-2
0.670
ALF-EVA-b701bd13-3
0.583
VLA-UNK-8e76d113-2
0.576
ALP-POS-fe871b40-2
0.560
ALF-EVA-82cf4849-2
0.560
VLA-UNK-8e76d113-1
0.559
MAT-POS-78e1d523-6
0.557
MAT-POS-78e1d523-5
0.557
MAT-POS-f9802937-9
0.557
ALP-UNI-3735e77e-4
0.557
MAT-POS-f9802937-8
0.557
MIC-UNK-91acba05-5
0.551
EDJ-MED-92e193ae-2
0.551
ALP-POS-477dc5b7-2
0.551
EDJ-MED-92e193ae-1
0.551
ROB-UNI-611831f5-2
0.545
ALF-EVA-82cf4849-1
0.545
ALP-POS-fe871b40-6
0.545
DAR-DIA-0587064e-14
0.543
DAR-DIA-0587064e-13
0.543
VLA-UCB-50c39ae8-8
0.542
VLA-UCB-05e51b3f-11
0.542
DAR-DIA-0587064e-23
0.541
ALP-UNI-ba800595-2
0.540
ALP-POS-fe871b40-10
0.540
ALP-POS-3b848b35-2
0.539
EDJ-MED-7320d5d2-1
0.539
MAT-POS-3b92565d-3
0.539
ALF-EVA-82cf4849-5
0.535
DAR-DIA-0587064e-16
0.533
DAR-DIA-0587064e-11
0.523
DAR-DIA-0587064e-18
0.523
ALF-EVA-b701bd13-6
0.510
DAR-DIA-0587064e-21
0.509
DAR-DIA-0587064e-25
0.509
DAR-DIA-0587064e-27
0.509
MAT-POS-f39f51fd-1
0.505
ALF-EVA-650655fc-1
0.505
ALF-EVA-650655fc-2
0.500
ALF-EVA-b701bd13-5
0.500
ALF-EVA-650655fc-3
0.491
RYA-UNI-8a7f7a0d-1
0.491
ALF-EVA-650655fc-6
0.487
VLA-UNK-9a7dc93f-3
0.485
MAT-POS-53907a1c-3
0.483
MIC-UNK-8758c41d-2
0.480
ALP-POS-869ac754-2
0.480
ALP-POS-fe871b40-16
0.476
VLA-UNK-56836b69-1
0.476
MIC-UNK-8758c41d-3
0.476
ALP-POS-869ac754-1
0.471
RAL-THA-05e671eb-2
0.471
RYA-UNI-6d7114fd-1
0.471
RAL-THA-05e671eb-21
0.470
RAL-THA-05e671eb-9
0.467
ALF-EVA-650655fc-8
0.467
ALP-POS-fe871b40-14
0.467
PET-UNK-c0891748-8
0.466
PET-UNK-c0891748-2
0.466
EDJ-MED-12f7f543-1
0.466
ALP-POS-fe871b40-5
0.466
RAL-THA-05e671eb-25
0.466
MIC-UNK-8758c41d-1
0.466
ALF-EVA-b701bd13-4
0.465
RAL-THA-05e671eb-8
0.462
ALP-POS-fe871b40-15
0.462
PET-UNK-cf04cb02-1
0.462
RAL-THA-4aa06b95-1
0.462
MIC-UNK-45817b9b-1
0.462
MAT-POS-43c25e9b-1
0.462
ROB-UNI-322e8f70-3
0.462
RAL-THA-05e671eb-16
0.462
MIC-UNK-91acba05-1
0.462
EDJ-MED-a6bd50ad-1
0.462
MAT-POS-43c25e9b-2
0.462
ALP-UNI-3735e77e-2
0.462
DAR-DIA-9f765dc6-6
0.462
MAT-POS-22e8b45a-1
0.462
DAR-DIA-9f765dc6-2
0.462
DAR-DIA-9f765dc6-5
0.462
MAT-POS-865c3497-2
0.462
MAT-POS-865c3497-1
0.462
DAR-DIA-6a508060-5
0.460
ALF-EVA-650655fc-7
0.459
RAL-THA-8416115c-2
0.457
ALP-UNI-3735e77e-3
0.457
RAL-THA-05e671eb-11
0.457
EDG-MED-5d232de5-6
0.457
EDG-MED-5d232de5-5
0.457
PET-UNK-c0891748-6
0.457
PET-UNK-c0891748-12
0.457
DAR-DIA-0f2f46c9-12
0.457
MIC-UNK-91acba05-6
0.457
ALP-POS-ce760d3f-1
0.457
FRA-DIA-0fa076fe-2
0.455
EDJ-MED-43f8f7d6-7
0.455
EDJ-MED-12c4873b-6
0.455