Molecular Properties | |
SMILES: | Nc1ccc(NC(=O)C2(NC(=O)NCc3ccccc3)CCCC2)cn1 |
MW: | 353.19 |
Fraction sp3: | 0.32 |
HBA: | 4 |
HBD: | 4 |
Rotatable Bonds: | 5 |
TPSA: | 109.14 |
cLogP: | 2.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7837731608 |
MolPort: | MolPort-045-471-648 |
aniline
Long aliphatic chain
Dipeptide
MAR-TRE-f6f5f473-97
0.393
MAR-TRE-74c6519b-52
0.384
MAR-TRE-74c6519b-53
0.384
MAR-TRE-f6f5f473-77
0.378
MAR-TRE-74c6519b-24
0.376
MAR-TRE-b77b7921-63
0.375
MAR-TRE-f6f5f473-69
0.374
MAR-TRE-f6f5f473-74
0.367
MAR-TRE-f6f5f473-91
0.363
MAR-TRE-f6f5f473-56
0.356
MAR-TRE-04c86cea-62
0.354
MAR-TRE-9c797165-2
0.349
MAR-TRE-04c86cea-78
0.348
MAR-TRE-7f7bb9f0-47
0.337
MAR-TRE-67513f76-75
0.333
MAR-TRE-04c86cea-44
0.333
MAR-TRE-f6f5f473-14
0.327
MAR-TRE-f6f5f473-8
0.326
MAR-TRE-7f7bb9f0-14
0.326
MAR-TRE-74c6519b-46
0.322
MAR-TRE-67513f76-3
0.322
MAR-TRE-9c797165-84
0.322
MAR-TRE-4b834d9a-89
0.322
MAR-TRE-9c797165-70
0.321
MAR-TRE-67513f76-99
0.318
MAR-TRE-3e4e6814-23
0.316
MAR-TRE-f6f5f473-9
0.312
MAR-TRE-7f7bb9f0-20
0.310
MAR-TRE-d0525fbf-82
0.309
MAR-TRE-67513f76-44
0.307
MAR-TRE-3e4e6814-96
0.304
MAR-TRE-67513f76-14
0.303
MAR-TRE-9c797165-77
0.302
MAR-TRE-4b834d9a-58
0.302
MAR-TRE-3e4e6814-39
0.300
MAR-TRE-9c797165-4
0.300
AAR-UNI-c25c2f1e-35
0.300
MAR-TRE-9c797165-44
0.298
MAR-TRE-7f7bb9f0-45
0.297
MAR-TRE-74c6519b-29
0.296
MAR-TRE-f6f5f473-73
0.295
MAR-TRE-7f7bb9f0-99
0.293
MAR-TRE-3e4e6814-58
0.293
MAR-TRE-67513f76-47
0.292
MAR-TRE-f6f5f473-28
0.292
MAR-TRE-7f7bb9f0-86
0.292
MAR-TRE-3e4e6814-87
0.292
MAR-TRE-f6f5f473-80
0.290
AAR-UNI-c25c2f1e-2
0.289
MAR-TRE-67513f76-31
0.289
MAR-TRE-7f7bb9f0-11
0.287
CHR-SOS-59746812-1
0.286
MAT-POS-b5746674-51
0.284
NAU-LAT-445f63e5-6
0.284
CHR-SOS-59746812-5
0.283
RUT-UNI-630c5802-8
0.282
MAR-TRE-7f7bb9f0-67
0.281
MAR-TRE-9c797165-33
0.281
NAU-LAT-64f4b287-9
0.280
MAR-TRE-4b834d9a-65
0.280
MAR-TRE-67513f76-35
0.280
MAR-TRE-74c6519b-48
0.280
GIA-UNK-3f36037a-6
0.279
MAR-TRE-74c6519b-50
0.278
MAR-TRE-b77b7921-72
0.275
SAD-SAT-2fd372d1-2
0.267
DAV-IMP-59dd6621-27
0.267
MAR-TRE-04c86cea-38
0.267
RUT-UNI-630c5802-16
0.265
JOH-UNI-c7afdb96-15
0.265
GIA-UNK-3f36037a-5
0.265
MAR-TRE-d0525fbf-30
0.265
MAR-TRE-74c6519b-47
0.264
RUT-UNI-630c5802-3
0.264
MAT-GRU-7002a1a0-1
0.262
WIL-UNI-1faa9b10-51
0.261
WIL-UNI-5578df48-17
0.260
MAR-TRE-9d18ae8c-81
0.260
MAR-TRE-4b834d9a-57
0.260
MAK-UNK-b2c98f02-3
0.260
AAR-UNI-c25c2f1e-51
0.258
MAR-TRE-7f7bb9f0-63
0.258
NIC-BIO-3276ca7f-4
0.257
VIJ-CYC-1a381570-4
0.257
RUT-UNI-630c5802-12
0.257
MAR-TRE-9c797165-69
0.256
MAR-TRE-66ac689e-83
0.255
MAR-TRE-9c797165-10
0.253
MAR-TRE-7f7bb9f0-21
0.253
SAD-SAT-135344c3-2
0.253
BAR-COM-4e090d3a-56
0.250
MAR-TRE-04c86cea-79
0.250
LON-WEI-1908424e-1
0.250
MAR-TRE-3e4e6814-84
0.248
MAR-TRE-f6f5f473-94
0.248
MAK-UNK-009ebe36-8
0.248
MAR-TRE-3159af1a-14
0.248
MAR-TRE-66ac689e-7
0.247
MAK-UNK-752736de-12
0.247
MAR-TRE-7f7bb9f0-13
0.245