Molecular Properties | |
SMILES: | N#Cc1cc(NC(=O)Cc2cncnc2)cc(OC2CC(=O)N2)c1 |
MW: | 323.1 |
Fraction sp3: | 0.19 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 117.0 |
cLogP: | 0.75 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
betalactam
b-lactam
RAL-MED-2de63afb-14
0.694
RAL-MED-2de63afb-2
0.685
TRY-UNI-bbd40bb4-2
0.650
BAR-COM-4e090d3a-39
0.613
ERI-UCB-ce40166b-9
0.591
ERI-UCB-ce40166b-10
0.490
RAL-THA-901e9a10-3
0.489
TRY-UNI-2eddb1ff-6
0.489
TRY-UNI-69298daf-4
0.483
RAL-MED-2de63afb-1
0.458
RAL-MED-2de63afb-7
0.434
TRY-UNI-69298daf-6
0.412
ADA-UCB-b1b30a00-3
0.409
RAL-MED-2de63afb-3
0.407
RAL-MED-2de63afb-6
0.405
ERI-UCB-ce40166b-5
0.404
RAL-MED-2de63afb-13
0.402
RAL-MED-2de63afb-8
0.402
RAL-THA-901e9a10-5
0.398
RAL-MED-2de63afb-5
0.398
TRY-UNI-69298daf-2
0.396
RAL-THA-901e9a10-4
0.396
RAL-MED-2de63afb-11
0.388
SAD-SAT-24589cd1-4
0.387
BEN-DND-b89db3f2-3
0.376
RAL-MED-2de63afb-4
0.375
RAL-THA-901e9a10-1
0.372
RAL-MED-2de63afb-15
0.371
RAL-MED-2de63afb-16
0.371
RAL-THA-901e9a10-6
0.368
WIL-MOD-03b86a88-1
0.365
TRY-UNI-2eddb1ff-7
0.365
RAL-THA-901e9a10-2
0.365
ERI-UCB-ce40166b-1
0.354
SAD-SAT-24589cd1-2
0.353
RAL-THA-901e9a10-7
0.351
BRU-LEF-c49414a7-1
0.351
DAR-DIA-667e571f-1
0.350
ALF-EVA-0b412456-6
0.349
ERI-UCB-ce40166b-12
0.340
ALP-POS-3b848b35-2
0.340
EDJ-MED-7320d5d2-1
0.340
RAL-THA-065e0743-2
0.340
MAT-POS-3b92565d-3
0.340
ALF-EVA-0b412456-4
0.340
ALF-EVA-0b412456-3
0.340
MAK-UNK-748f8b7a-16
0.338
MAK-UNK-748f8b7a-15
0.338
RAL-MED-2de63afb-9
0.337
RAL-MED-2de63afb-12
0.337
BAR-COM-4e090d3a-11
0.337
ALF-EVA-0b412456-1
0.337
ALF-EVA-0b412456-5
0.336
ALF-EVA-0b412456-7
0.336
MAK-UNK-748f8b7a-3
0.333
MAK-UNK-748f8b7a-14
0.333
ALP-POS-a30bcdb4-1
0.333
TRY-UNI-69298daf-3
0.333
ERI-UCB-ce40166b-11
0.333
DAR-DIA-23aa0b97-6
0.329
DAR-DIA-23aa0b97-4
0.329
ERI-UCB-ce40166b-6
0.327
ALF-EVA-0b412456-2
0.324
MAK-UNK-748f8b7a-10
0.321
MAK-UNK-748f8b7a-7
0.321
BAR-COM-4e090d3a-53
0.316
ANT-OPE-6e66bf84-1
0.316
ALF-EVA-0b412456-8
0.312
DAR-DIA-23aa0b97-7
0.310
ANN-UNI-26382800-5
0.310
RAL-MED-2de63afb-10
0.310
DAR-DIA-23aa0b97-17
0.310
ANT-OPE-6e66bf84-2
0.309
RAY-UNI-5365d7e5-1
0.309
MAT-POS-3b92565d-9
0.305
MAT-POS-3b92565d-6
0.305
ERI-UCB-ce40166b-2
0.302
MAK-UNK-748f8b7a-4
0.301
TRY-UNI-bbd40bb4-4
0.301
DAR-DIA-23aa0b97-3
0.300
JOH-IMS-4b4cc7e6-3
0.299
RAL-THA-901e9a10-8
0.297
TRY-UNI-2eddb1ff-8
0.297
MAR-UCB-ad2ff052-2
0.295
MAR-UCB-ad2ff052-1
0.291
MAT-POS-c478e61b-1
0.290
MAT-POS-3b92565d-12
0.290
MAK-UNK-748f8b7a-5
0.289
MAK-UNK-748f8b7a-12
0.287
TRY-UNI-69298daf-5
0.287
JAN-GHE-74b8b0cb-1
0.287
ALF-EVA-650655fc-5
0.286
BEN-DND-61647d40-21
0.284
ROB-UNI-83ecb295-1
0.283
DAR-DIA-1d7f034a-1
0.281
MAR-UCB-ad2ff052-3
0.281
JAN-GHE-f4ca5a00-15
0.279
ALP-POS-3fc1724e-6
0.278
FRA-DIA-b66f7109-2
0.277
FRA-DIA-b66f7109-4
0.277