Molecular Properties | |
SMILES: | N[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)nc1)c1ccccc1 |
MW: | 324.16 |
Fraction sp3: | 0.28 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 97.11 |
cLogP: | 2.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-f6f5f473-80
0.541
MAR-TRE-f6f5f473-37
0.513
MAR-TRE-f6f5f473-39
0.506
MAR-TRE-04c86cea-84
0.500
MAR-TRE-f6f5f473-63
0.480
MAR-TRE-4b834d9a-56
0.451
MAR-TRE-b77b7921-75
0.444
MAR-TRE-f6f5f473-81
0.434
MAR-TRE-04c86cea-85
0.434
MAR-TRE-d0525fbf-53
0.421
MAR-TRE-04c86cea-48
0.421
MAR-TRE-4b834d9a-100
0.418
MAR-TRE-4b834d9a-48
0.410
MAR-TRE-d0525fbf-63
0.407
AUS-ARG-7cfdce8f-11
0.384
MAR-TRE-2fd8122f-47
0.368
MAR-TRE-04c86cea-31
0.341
MAR-TRE-f6f5f473-76
0.319
MAR-TRE-f6f5f473-87
0.315
MAR-TRE-f6f5f473-73
0.315
BAR-COM-4e090d3a-67
0.308
MAR-TRE-04c86cea-79
0.308
AAR-UNI-c25c2f1e-75
0.307
MAR-TRE-9c797165-3
0.303
MAK-UNK-c97f7c8f-1
0.301
MAR-TRE-67513f76-82
0.297
MAK-UNK-c97f7c8f-2
0.294
TAM-UNI-c140e31a-10
0.292
MAR-TRE-67513f76-75
0.291
MAR-TRE-f6f5f473-8
0.290
MAR-TRE-7f7bb9f0-26
0.290
MAR-TRE-74c6519b-91
0.287
ALP-POS-90c18d1d-1
0.284
LON-WEI-120e5cf5-1
0.284
LON-WEI-120e5cf5-17
0.284
AAR-POS-5507155c-2
0.284
AAR-POS-f650c5f2-4
0.284
BAR-COM-4e090d3a-25
0.281
JAG-SYN-9c2cd0bd-7
0.280
MAR-TRE-3e4e6814-23
0.280
MAR-TRE-67513f76-14
0.279
MAK-UNK-30aad1f1-17
0.279
MAR-TRE-3e4e6814-74
0.276
LON-WEI-120e5cf5-12
0.275
MAR-TRE-87acfbcc-95
0.274
MAR-TRE-f6f5f473-98
0.273
MAR-TRE-9c797165-44
0.272
MAR-TRE-74c6519b-24
0.271
CHR-SOS-70e4c98a-6
0.271
MAR-TRE-7f7bb9f0-54
0.270
MAR-TRE-67513f76-85
0.270
MAR-TRE-67513f76-3
0.270
BEN-DND-03406596-4
0.269
BEN-DND-93268d01-1
0.269
BEN-DND-03406596-11
0.269
BEN-DND-03406596-12
0.269
BEN-DND-031a96cc-4
0.267
CHR-SOS-f7373dd1-4
0.267
MAR-TRE-7f7bb9f0-86
0.267
MAR-TRE-74c6519b-47
0.267
MAR-TRE-9d18ae8c-70
0.267
BEN-DND-031a96cc-2
0.266
MAR-TRE-04c86cea-62
0.265
CHR-SOS-70e4c98a-8
0.264
MAK-UNK-b2c98f02-3
0.263
EDG-MED-0da5ad92-13
0.262
MAR-TRE-87acfbcc-35
0.262
CHR-SOS-f7373dd1-1
0.261
MAR-TRE-74c6519b-69
0.261
MAR-TRE-7f7bb9f0-14
0.261
MAR-TRE-67513f76-24
0.261
MAR-TRE-b77b7921-71
0.261
JAG-SYN-9c2cd0bd-9
0.259
MAR-TRE-87acfbcc-50
0.259
JAG-SYN-9c2cd0bd-14
0.259
JAG-SYN-9c2cd0bd-4
0.259
MAR-TRE-8190bb11-11
0.259
CHR-SOS-70e4c98a-3
0.258
MAR-TRE-7f7bb9f0-45
0.258
MAR-TRE-7f7bb9f0-67
0.258
MAR-TRE-f6f5f473-74
0.258
MAR-TRE-04c86cea-44
0.258
SAN-PRS-52b81272-2
0.256
JAG-SYN-9c2cd0bd-3
0.256
LON-WEI-120e5cf5-15
0.256
MAR-TRE-6a44bbf2-86
0.256
MAR-TRE-7f7bb9f0-20
0.256
RAL-MED-2de63afb-6
0.256
MAR-TRE-74c6519b-52
0.256
MAR-TRE-74c6519b-53
0.256
BEN-DND-031a96cc-3
0.255
YOI-UNK-4c10088f-1
0.253
BEN-DND-031a96cc-5
0.253
CHR-SOS-70e4c98a-1
0.253
MAR-TRE-04c86cea-34
0.253
MAR-TRE-3159af1a-24
0.252
JAG-SYN-9c2cd0bd-8
0.250
MAR-TRE-2fd8122f-27
0.250
ADA-UNI-f8e79267-5
0.250
MAR-TRE-9c797165-70
0.250