Molecular Properties | |
SMILES: | Cc1ncc2ccccc2c1NC(=O)Cc1cc(Cl)cc(OC2CC(=O)N2)c1 |
MW: | 395.1 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 80.32 |
cLogP: | 3.6 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
betalactam
b-lactam
ALP-POS-3b848b35-2
MAT-POS-3b92565d-3
0.652
EDJ-MED-7320d5d2-1
0.652
ALP-POS-3b848b35-2
0.652
WIL-MOD-03b86a88-1
0.576
TRY-UNI-2eddb1ff-7
0.576
MAT-POS-3b92565d-6
0.557
MAT-POS-3b92565d-9
0.557
MAT-POS-9ff17035-1
0.550
PET-UNK-cf04cb02-1
0.546
ALP-POS-a30bcdb4-1
0.546
JAN-GHE-74b8b0cb-1
0.545
ALF-EVA-0b412456-1
0.545
ALF-EVA-0b412456-3
0.545
ALF-EVA-0b412456-2
0.539
ALF-EVA-0b412456-4
0.529
ALF-EVA-0b412456-5
0.524
ALF-EVA-0b412456-6
0.524
ALF-EVA-0b412456-7
0.519
ALF-EVA-0b412456-8
0.519
BEN-DND-b89db3f2-3
0.511
MAT-POS-3b92565d-12
0.505
MAT-POS-c478e61b-1
0.505
ERI-UCB-ce40166b-5
0.485
DAR-DIA-23e5a6a0-30
0.460
DAR-DIA-23e5a6a0-24
0.451
ALF-EVA-650655fc-1
0.445
DAR-DIA-23e5a6a0-22
0.438
DAR-DIA-0587064e-3
0.437
RAL-THA-2d450e86-18
0.433
ALP-POS-3b848b35-1
0.433
MAT-POS-3b92565d-2
0.433
DAR-DIA-23e5a6a0-26
0.433
ALF-EVA-650655fc-2
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EDJ-MED-50011917-2
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ALF-EVA-650655fc-3
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RAL-THA-901e9a10-2
0.422
ALF-EVA-650655fc-6
0.420
RYA-UNI-8a7f7a0d-1
0.420
RAL-THA-901e9a10-1
0.416
MAT-POS-53907a1c-3
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ERI-UCB-ce40166b-9
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RAL-THA-901e9a10-6
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RAL-THA-901e9a10-5
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ALF-EVA-650655fc-4
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RAL-THA-901e9a10-4
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TRY-UNI-2eddb1ff-6
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RAL-THA-901e9a10-3
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ERI-UCB-ce40166b-6
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DAR-DIA-0587064e-4
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DAR-DIA-0587064e-2
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DAR-DIA-23e5a6a0-28
0.404
FRA-DIA-b66f7109-4
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ALF-EVA-650655fc-8
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EDJ-MED-50011917-1
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ERI-UCB-ce40166b-1
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ALF-EVA-650655fc-7
0.395
DAR-DIA-0587064e-7
0.393
PET-UNK-8c422e11-4
0.390
CHO-MSK-6e55470f-20
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FRA-DIA-b66f7109-2
0.389
ADA-UCB-dc2b944c-10
0.389
WIL-MOD-03b86a88-4
0.388
MIC-UNK-16ccb665-1
0.388
PET-UNK-8c422e11-3
0.388
JOH-UNI-6fede743-2
0.388
RAL-THA-1d44ff04-1
0.387
RAL-THA-1d44ff04-2
0.387
MAR-UCB-ad2ff052-1
0.387
MAT-POS-9ff17035-3
0.387
NAU-LAT-0543f7f2-9
0.385
PET-UNK-bb7ffe78-2
0.385
DAR-DIA-0587064e-5
0.383
DAR-DIA-0587064e-6
0.382
JOH-UNI-6fede743-4
0.381
JAN-GHE-74b8b0cb-2
0.379
MAT-POS-3b92565d-5
0.379
MAT-POS-9ff17035-2
0.378
DAR-DIA-53551c05-11
0.378
RUB-POS-1325a9ea-18
0.378
FRA-DIA-b66f7109-1
0.377
MAR-UCB-ad2ff052-2
0.376
DAR-DIA-0587064e-1
0.376
FRA-DIA-b66f7109-3
0.376
ALP-POS-3fc1724e-6
0.376
ALP-POS-fab80cf2-1
0.375
RAL-THA-1d44ff04-12
0.372
ALP-POS-3fc1724e-2
0.372
ERI-UCB-ce40166b-17
0.372
JOH-UNI-3fc3434e-8
0.370
JOH-UNI-ee5ed7c8-8
0.370
RAL-THA-901e9a10-7
0.369
BRU-LEF-c49414a7-1
0.369
TRY-UNI-2eddb1ff-8
0.368
ROB-UNI-611831f5-1
0.365
PET-UNK-c5865d42-1
0.364
DAR-DIA-0587064e-8
0.363
MAT-POS-173a45da-2
0.362
RAL-THA-2d450e86-15
0.360
MAT-POS-3b92565d-8
0.359
PET-UNK-c5865d42-2
0.357