Molecular Properties | |
SMILES: | O=C(CCCN1C(=O)CSc2ncccc21)NCc1ccccc1 |
MW: | 341.12 |
Fraction sp3: | 0.28 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 62.3 |
cLogP: | 2.62 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAR-TRE-74c6519b-98
0.782
MAR-TRE-4b834d9a-66
0.732
MAR-TRE-3e4e6814-97
0.679
MAR-TRE-d0525fbf-80
0.670
MAR-TRE-9c797165-64
0.607
MAR-TRE-9c797165-50
0.602
MAR-TRE-4b834d9a-94
0.484
MAR-TRE-67513f76-19
0.457
MAR-TRE-d0525fbf-52
0.449
MAR-TRE-4b834d9a-70
0.443
MAR-TRE-9c797165-29
0.429
MAR-TRE-d0525fbf-69
0.424
MAR-TRE-67513f76-29
0.417
MAR-TRE-74c6519b-93
0.410
MAR-TRE-4b834d9a-53
0.408
MAR-TRE-4b834d9a-68
0.408
MAR-TRE-7f7bb9f0-88
0.386
MAR-TRE-3e4e6814-14
0.340
MAR-TRE-3e4e6814-5
0.330
NAU-LAT-64f4b287-9
0.325
MAR-TRE-f6f5f473-94
0.323
MAR-TRE-3159af1a-14
0.323
MAR-TRE-9c797165-54
0.317
MAR-TRE-3e4e6814-73
0.317
MAR-TRE-04c86cea-23
0.312
MAR-TRE-b77b7921-99
0.311
MAR-TRE-f6f5f473-82
0.311
MAR-TRE-67513f76-10
0.311
MAR-TRE-4b834d9a-52
0.308
MAR-TRE-3e4e6814-7
0.308
MAR-TRE-b77b7921-1
0.308
MAR-TRE-3e4e6814-12
0.308
GIA-UNK-3f36037a-6
0.307
MAR-TRE-b77b7921-46
0.306
MAR-TRE-9c797165-53
0.305
MAR-TRE-74c6519b-27
0.305
MAR-TRE-f6f5f473-55
0.305
LON-WEI-1908424e-1
0.304
MAR-TRE-04c86cea-6
0.300
MAR-TRE-4b834d9a-23
0.299
MAR-TRE-fd17a9b8-69
0.298
GIA-UNK-3f36037a-5
0.294
MAR-TRE-7f7bb9f0-51
0.293
MAR-TRE-d0525fbf-96
0.291
MAR-TRE-67513f76-34
0.291
MAR-TRE-9c797165-72
0.291
MAR-TRE-4b834d9a-85
0.290
MAR-TRE-7f7bb9f0-60
0.287
MAR-TRE-9c797165-6
0.286
MAR-TRE-d0525fbf-65
0.281
MAR-TRE-04c86cea-2
0.279
MAR-TRE-f6f5f473-21
0.279
MAK-UNK-af83ef51-31
0.276
MAR-TRE-67513f76-5
0.275
MAR-TRE-f6f5f473-65
0.274
MAR-TRE-b77b7921-89
0.273
MAR-TRE-4b834d9a-50
0.273
MAR-TRE-67513f76-50
0.271
MAR-TRE-7f7bb9f0-36
0.270
NIC-BIO-3276ca7f-4
0.269
MAR-TRE-b77b7921-47
0.269
MAR-TRE-4b834d9a-91
0.267
SAD-SAT-2fd372d1-2
0.267
MAR-TRE-9c797165-65
0.266
NIM-UNI-bb9030bf-1
0.265
MAR-TRE-2fd8122f-43
0.262
MAR-TRE-04c86cea-47
0.261
MAR-TRE-a3327163-36
0.260
MAR-TRE-3e4e6814-17
0.259
MAR-TRE-9c797165-81
0.257
MAR-TRE-04c86cea-21
0.257
MAR-TRE-04c86cea-52
0.257
MAR-TRE-f6f5f473-20
0.257
MAR-TRE-f6f5f473-34
0.257
MAR-TRE-fd17a9b8-79
0.255
MAR-TRE-a3327163-30
0.252
MAR-TRE-4b834d9a-93
0.252
NIM-NMI-8bb27a2b-10
0.250
MAR-TRE-d0525fbf-36
0.250
MAR-TRE-74c6519b-65
0.250
MAR-TRE-b77b7921-54
0.250
MAR-TRE-04c86cea-58
0.250
JOH-UNI-c7afdb96-15
0.250
MAR-TRE-d0525fbf-22
0.248
ALP-POS-02c6a514-57
0.248
MAR-TRE-4b834d9a-5
0.248
MAR-TRE-4b834d9a-18
0.248
MAR-TRE-04c86cea-60
0.248
MAR-TRE-74c6519b-60
0.248
MAT-POS-b5746674-51
0.248
AAR-UNI-c25c2f1e-21
0.248
MAR-TRE-f6f5f473-90
0.248
WIL-UNI-1faa9b10-51
0.247
MAR-TRE-f6f5f473-18
0.246
MAR-TRE-04c86cea-92
0.246
MAR-TRE-4b834d9a-3
0.245
MAR-TRE-4b834d9a-39
0.245
AAR-UNI-c25c2f1e-70
0.245
MAK-UNK-942dcb71-18
0.244
MAR-TRE-d0525fbf-39
0.243