Molecular Properties | |
SMILES: | N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 |
MW: | 324.16 |
Fraction sp3: | 0.28 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 97.11 |
cLogP: | 1.94 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-04c86cea-19
0.541
MAR-TRE-f6f5f473-63
0.521
MAR-TRE-f6f5f473-39
0.468
MAR-TRE-04c86cea-84
0.459
MAR-TRE-f6f5f473-37
0.456
MAR-TRE-4b834d9a-56
0.451
MAR-TRE-f6f5f473-81
0.434
MAR-TRE-d0525fbf-53
0.421
MAR-TRE-04c86cea-48
0.421
MAR-TRE-04c86cea-85
0.416
MAR-TRE-4b834d9a-48
0.410
MAR-TRE-4b834d9a-100
0.400
MAR-TRE-b77b7921-75
0.393
MAR-TRE-d0525fbf-63
0.390
MAR-TRE-74c6519b-52
0.345
MAR-TRE-e86a56b5-77
0.333
MAR-TRE-2fd8122f-51
0.322
JUS-UNI-57125a42-1
0.315
MAR-TRE-f6f5f473-87
0.315
MAR-TRE-74c6519b-24
0.312
MAR-TRE-04c86cea-31
0.312
MAK-UNK-c97f7c8f-2
0.310
BAR-COM-4e090d3a-56
0.308
MAR-TRE-04c86cea-79
0.308
DAR-DIA-03336633-14
0.302
MAK-UNK-c97f7c8f-1
0.301
MAK-UNK-30aad1f1-17
0.294
MAR-TRE-67513f76-75
0.291
MAR-TRE-f6f5f473-8
0.290
MAR-TRE-f6f5f473-90
0.290
MAR-TRE-67513f76-86
0.286
BEN-DND-93268d01-14
0.286
MAK-UNK-b2c98f02-5
0.286
MAR-TRE-7f7bb9f0-86
0.282
BEN-DND-031a96cc-4
0.282
MAR-TRE-f6f5f473-28
0.282
BEN-DND-031a96cc-5
0.282
BEN-DND-031a96cc-1
0.281
MAK-UNK-9955b1f3-12
0.280
AAR-UNI-c25c2f1e-75
0.278
ADA-UNI-f8e79267-6
0.276
JAG-SYN-9c2cd0bd-9
0.275
AAR-UNI-c25c2f1e-3
0.275
MAR-LAB-efb042c5-2
0.274
SAN-PRS-52b81272-2
0.273
BAR-COM-4e090d3a-36
0.272
MAR-TRE-9c797165-44
0.272
MAR-TRE-7f7bb9f0-47
0.270
AAR-POS-5507155c-2
0.270
LON-WEI-120e5cf5-17
0.270
AAR-POS-f650c5f2-4
0.270
LON-WEI-120e5cf5-1
0.270
MAR-TRE-9c797165-58
0.270
MAR-TRE-7f7bb9f0-54
0.270
MAR-TRE-7f7bb9f0-98
0.270
MAR-TRE-e86a56b5-98
0.269
JUA-UNI-b93289a4-6
0.268
YUN-WES-64c64eb2-6
0.267
YUN-WES-58b0dbae-8
0.267
MAR-TRE-9d18ae8c-70
0.267
MAK-UNK-27459e11-12
0.267
MAR-TRE-3e4e6814-23
0.266
JAN-GHE-f375bf5b-1
0.265
MAR-TRE-f6f5f473-76
0.265
MAR-TRE-04c86cea-34
0.265
JAG-SYN-9c2cd0bd-7
0.265
MAR-TRE-7f7bb9f0-11
0.264
MAR-TRE-67513f76-64
0.264
MAK-UNK-f983951f-22
0.263
MAR-TRE-e86a56b5-99
0.263
MAR-TRE-3e4e6814-74
0.263
MAK-UNK-b2c98f02-3
0.263
AUS-ARG-7cfdce8f-11
0.263
MAR-TRE-e86a56b5-81
0.263
MAR-TRE-9c797165-4
0.261
CHR-SOS-59746812-1
0.261
SHA-THE-408e7524-8
0.261
LON-WEI-120e5cf5-12
0.261
NAU-LAT-445f63e5-6
0.261
DAR-DIA-03336633-13
0.260
ALE-UNK-fca05062-6
0.260
JAG-SYN-9c2cd0bd-14
0.259
MAR-TRE-92684b97-51
0.259
CHR-SOS-59746812-5
0.258
MAR-TRE-f6f5f473-73
0.258
MAR-SOS-82e3a7c7-10
0.258
KEI-TRE-d5e2018a-15
0.258
MAR-TRE-7f7bb9f0-18
0.258
MAR-SOS-c7881798-11
0.258
MAR-TRE-f6f5f473-74
0.258
MAR-TRE-74c6519b-100
0.258
MAR-SOS-c7881798-3
0.257
MAR-SOS-82e3a7c7-2
0.257
ANT-DIA-b7f58f21-4
0.257
DRA-CSI-47e38074-2
0.257
JAG-SYN-9c2cd0bd-3
0.256
MAR-TRE-6a44bbf2-86
0.256
LON-WEI-120e5cf5-15
0.256
MAT-POS-bfefc3ea-2
0.256
RAL-MED-2de63afb-6
0.256