Molecular Properties | |
SMILES: | CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc(N)nc1 |
MW: | 326.17 |
Fraction sp3: | 0.28 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 97.11 |
cLogP: | 1.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aniline
Dipeptide
MAR-TRE-67513f76-47
0.636
MAR-TRE-7f7bb9f0-47
0.577
MAR-TRE-74c6519b-24
0.424
MAR-TRE-f6f5f473-28
0.403
MAR-TRE-f6f5f473-73
0.398
MAR-TRE-7f7bb9f0-63
0.386
MAR-TRE-f6f5f473-90
0.384
MAR-TRE-9c797165-70
0.368
MAR-TRE-f6f5f473-8
0.368
MAR-TRE-3e4e6814-87
0.367
MAR-TRE-7f7bb9f0-11
0.357
MAR-TRE-74c6519b-46
0.349
MAR-TRE-7f7bb9f0-99
0.349
MAR-TRE-d0525fbf-82
0.349
SAN-PRS-52b81272-2
0.347
MAR-TRE-f6f5f473-80
0.345
MAR-TRE-3e4e6814-39
0.341
TRY-UNI-714a760b-2
0.338
MAR-TRE-7f7bb9f0-20
0.338
MAR-TRE-4b834d9a-89
0.333
MAR-TRE-9c797165-33
0.333
MAR-TRE-9c797165-84
0.333
MAR-TRE-67513f76-44
0.333
MAR-TRE-04c86cea-44
0.330
MAR-TRE-f6f5f473-91
0.330
MAR-TRE-67513f76-14
0.329
MAR-TRE-67513f76-99
0.329
MAR-TRE-3e4e6814-23
0.326
MAR-TRE-9c797165-4
0.325
MAR-TRE-e86a56b5-55
0.325
MAR-TRE-7f7bb9f0-45
0.321
MAR-TRE-74c6519b-29
0.319
MAR-TRE-f6f5f473-74
0.318
MAR-TRE-3e4e6814-58
0.318
MAR-TRE-7f7bb9f0-86
0.317
MAR-TRE-3e4e6814-96
0.314
MAR-TRE-9c797165-2
0.313
MAR-TRE-9c797165-77
0.312
MAR-TRE-67513f76-75
0.312
TRY-UNI-714a760b-5
0.312
MAR-TRE-f6f5f473-69
0.311
MAR-TRE-f6f5f473-97
0.310
MAR-TRE-9c797165-44
0.308
MAR-TRE-7f7bb9f0-14
0.307
MAR-TRE-f6f5f473-56
0.306
BAR-COM-4e090d3a-36
0.303
MAR-TRE-74c6519b-53
0.302
MAR-TRE-67513f76-3
0.302
MAR-TRE-67513f76-35
0.301
MAR-TRE-74c6519b-50
0.300
MAR-TRE-7f7bb9f0-21
0.300
MAR-TRE-f6f5f473-77
0.300
MAK-UNK-a7b37c5e-3
0.299
MAR-TRE-d0525fbf-30
0.298
MAR-TRE-67513f76-31
0.297
MAR-TRE-b77b7921-63
0.295
RUT-UNI-630c5802-16
0.295
RUT-UNI-630c5802-3
0.294
MAR-TRE-9c797165-24
0.293
MAR-TRE-7f7bb9f0-67
0.289
MAR-TRE-2fd8122f-1
0.289
RUT-UNI-630c5802-8
0.288
MAT-POS-bfefc3ea-2
0.287
LAU-FAC-e2c8b4ad-1
0.287
MAR-TRE-74c6519b-48
0.287
MAR-TRE-04c86cea-38
0.287
MAR-TRE-04c86cea-78
0.286
MAR-TRE-f6f5f473-14
0.286
SAD-SAT-689b7d5a-4
0.282
MAR-TRE-04c86cea-62
0.281
MAR-TRE-74c6519b-12
0.281
MAR-TRE-b77b7921-72
0.281
RAL-THA-2d450e86-1
0.280
MAR-TRE-f6f5f473-9
0.280
ANT-DIA-b7f58f21-4
0.279
MAR-TRE-f6f5f473-39
0.278
WIL-UNI-5578df48-8
0.277
MAR-TRE-67513f76-86
0.274
MAR-TRE-4b834d9a-65
0.274
MAR-TRE-74c6519b-100
0.274
RUT-UNI-630c5802-12
0.274
RAL-MED-2de63afb-6
0.273
BEN-DND-93268d01-1
0.273
BEN-DND-03406596-11
0.273
BEN-DND-03406596-4
0.273
BEN-DND-03406596-12
0.273
MAR-TRE-4b834d9a-58
0.272
WIL-UNI-5578df48-3
0.271
MAK-UNK-b2c98f02-3
0.265
EDG-MED-0da5ad92-13
0.265
MAR-TRE-7f7bb9f0-49
0.265
MAK-UNK-129dcd6f-8
0.264
DAR-DIA-03336633-8
0.263
MAR-TRE-67513f76-93
0.262
MIC-SGC-657978c3-3
0.261
MAT-POS-bfefc3ea-3
0.260
ALE-UNK-fca05062-4
0.260
BEN-DND-93268d01-14
0.259
LIL-FNM-e1865f24-1
0.259
MIC-SGC-657978c3-1
0.258