Molecular Properties | |
SMILES: | O=C(N[C@@H](Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1 |
MW: | 370.07 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 99.26 |
cLogP: | 2.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6386879605 |
MAR-TRE-92684b97-53
0.391
BEN-DND-7e92b6ca-4
0.360
ROB-UNI-daaf9793-1
0.356
MAT-POS-e1b5ac6b-1
0.356
MAT-POS-e1b5ac6b-2
0.340
MAT-POS-3b92565d-4
0.340
ALP-POS-75715966-3
0.340
MAR-TRE-be9ff7d2-61
0.337
VLA-UCB-38f570bb-1
0.330
DAR-DIA-8e329c92-6
0.330
NAU-LAT-30527ac5-3
0.330
MAT-POS-3b92565d-5
0.327
MAR-TRE-f5c2d31c-86
0.327
NAU-LAT-a5c7d7cb-7
0.327
ALP-POS-05819dc4-1
0.324
ARI-TAT-5792557e-29
0.323
MAR-TRE-be9ff7d2-9
0.323
MAR-TRE-92684b97-5
0.323
MAR-TRE-e86a56b5-41
0.322
JAG-UCB-c37fbdcd-1
0.317
NAU-LAT-56d5284e-6
0.317
DAR-DIA-53551c05-21
0.315
DAR-DIA-8e329c92-5
0.314
DAR-DIA-53551c05-18
0.314
DAR-DIA-8e329c92-4
0.314
NAU-LAT-56d5284e-7
0.313
NAU-LAT-30527ac5-6
0.312
BEN-DND-7e92b6ca-5
0.312
JAG-UCB-c37fbdcd-2
0.311
NAU-LAT-a5c7d7cb-9
0.310
DAR-DIA-53551c05-19
0.309
MAR-TRE-4f781e27-69
0.309
MAR-TRE-92684b97-97
0.309
MAR-TRE-f5c2d31c-47
0.308
MAR-TRE-e82e6c98-20
0.307
MAR-UCB-195bc32d-9
0.307
MAR-TRE-4f781e27-6
0.306
ALP-POS-bea7b391-1
0.305
NAU-LAT-56d5284e-4
0.304
MAT-POS-916a2c5a-2
0.303
DAR-DIA-8e329c92-7
0.303
DAR-DIA-8e329c92-11
0.301
ALP-POS-3fc1724e-4
0.300
MAT-POS-3b92565d-6
0.299
BEN-DND-7e92b6ca-3
0.299
ALP-POS-3fc1724e-1
0.298
DAR-DIA-8e329c92-10
0.297
ALP-POS-3fc1724e-3
0.297
YIA-UNI-71f25a82-1
0.296
MAR-TRE-be9ff7d2-10
0.296
DAR-DIA-8e329c92-9
0.296
ADA-UCB-b1b30a00-1
0.294
ERI-UCB-a0b0dbcb-12
0.294
MAR-TRE-4f781e27-94
0.293
MAR-TRE-e86a56b5-94
0.292
NAU-LAT-56d5284e-1
0.290
DAR-DIA-8e329c92-8
0.289
NIC-BIO-3276ca7f-2
0.289
KRI-MAR-d2e3ef86-5
0.289
BEN-DND-7e92b6ca-10
0.289
MAT-POS-590ac91e-42
0.288
VLA-UCB-eb340134-1
0.288
NAU-LAT-56d5284e-5
0.287
ALP-UNI-ed5cdfd2-7
0.286
MAT-POS-590ac91e-41
0.286
DAR-DIA-8e329c92-12
0.284
MAT-UCB-70f7c0f7-4
0.284
MAT-POS-54c4bf04-1
0.284
MAR-TRE-e86a56b5-46
0.284
FRA-DIA-e29753f2-1
0.283
NAU-LAT-b7d8c353-3
0.283
BEN-DND-b89db3f2-1
0.283
VLA-UCB-05e51b3f-18
0.283
JAG-UCB-c61058a9-45
0.283
VLA-UCB-50c39ae8-11
0.283
ALP-POS-ddb41b15-5
0.282
ALP-UNI-ed5cdfd2-6
0.282
NAU-LAT-56d5284e-8
0.282
BRU-UNI-248b30bc-41
0.281
ERI-UCB-ce40166b-20
0.281
ERI-UCB-ce40166b-18
0.281
MAR-TRE-92684b97-8
0.280
BEN-DND-7e92b6ca-6
0.280
NIC-BIO-3276ca7f-7
0.278
MAR-TRE-4f781e27-93
0.278
ALP-UNI-ed5cdfd2-4
0.277
MAR-UCB-f313ec4d-1
0.277
ERI-UCB-ce40166b-17
0.277
ALP-POS-3fc1724e-2
0.277
ADA-UCB-6c2cb422-8
0.277
NAU-LAT-56d5284e-3
0.276
MAR-TRE-e82e6c98-100
0.275
ALP-UNI-ed5cdfd2-8
0.275
MAR-UCB-f313ec4d-4
0.275
YIA-UNI-71f25a82-2
0.274
EDJ-MED-d1cd9639-1
0.274
MAK-UNK-230cdef2-5
0.274
DAR-DIA-8e329c92-13
0.274
DAR-DIA-53551c05-16
0.273
MAT-UCB-70f7c0f7-1
0.273