Molecular Properties | |
SMILES: | Cc1cccc(CNC(=O)C[C@H]2Sc3ncccc3N(C)C2=O)c1 |
MW: | 341.12 |
Fraction sp3: | 0.28 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 62.3 |
cLogP: | 2.53 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
MAR-TRE-9c797165-72
0.659
MAR-TRE-9c797165-6
0.643
MAR-TRE-d0525fbf-96
0.639
MAR-TRE-7f7bb9f0-36
0.625
MAR-TRE-4b834d9a-85
0.621
MAR-TRE-9c797165-81
0.588
MAR-TRE-d0525fbf-74
0.500
MAR-TRE-67513f76-40
0.467
MAR-TRE-9c797165-54
0.458
MAR-TRE-67513f76-10
0.453
MAR-TRE-9c797165-53
0.443
MAR-TRE-7f7bb9f0-51
0.424
MAR-TRE-67513f76-34
0.417
MAR-TRE-b77b7921-11
0.398
MAR-TRE-67513f76-50
0.390
MAR-TRE-3159af1a-4
0.386
MAR-TRE-74c6519b-8
0.381
MAR-TRE-74c6519b-25
0.380
MAR-TRE-7f7bb9f0-60
0.378
MAR-TRE-74c6519b-7
0.367
MAR-TRE-f6f5f473-72
0.358
MAR-TRE-74c6519b-70
0.349
MAR-TRE-67513f76-5
0.343
MAR-TRE-3e4e6814-2
0.342
MAR-TRE-4b834d9a-94
0.333
MAR-TRE-4b834d9a-66
0.330
MAR-TRE-9c797165-65
0.318
AGN-NEW-c7b24fe3-6
0.316
RAF-POL-b61b4b25-9
0.315
MAR-TRE-74c6519b-98
0.315
MAR-TRE-7f7bb9f0-80
0.314
AGN-NEW-c7b24fe3-2
0.312
MAR-TRE-3e4e6814-84
0.311
AGN-NEW-c7b24fe3-3
0.302
MAR-TRE-d0525fbf-52
0.283
MAR-TRE-4b834d9a-12
0.283
MAR-TRE-d0525fbf-80
0.282
MAR-TRE-4b834d9a-21
0.281
MAR-TRE-4b834d9a-2
0.278
MAK-UNK-942dcb71-4
0.273
MAR-TRE-4b834d9a-3
0.273
MAK-UNK-e4a48a85-11
0.273
MAR-TRE-4b834d9a-22
0.270
MAK-UNK-3f402c2b-3
0.268
RAL-THA-2d450e86-13
0.267
MAR-TRE-f6f5f473-22
0.267
MAR-TRE-b77b7921-89
0.266
MAR-TRE-4b834d9a-10
0.265
MAT-POS-b5746674-70
0.264
MAR-TRE-4b834d9a-25
0.264
MAR-TRE-d0525fbf-69
0.263
MAR-TRE-b77b7921-2
0.263
MAR-TRE-d0525fbf-22
0.263
MAR-TRE-3e4e6814-51
0.263
MAR-TRE-b77b7921-47
0.262
MAR-TRE-4b834d9a-20
0.261
MAR-TRE-b77b7921-8
0.261
MAR-TRE-04c86cea-33
0.261
MAR-TRE-b77b7921-10
0.260
ALP-POS-95b75b4d-9
0.260
MAK-UNK-942dcb71-3
0.260
MAR-TRE-3159af1a-85
0.259
MAR-TRE-04c86cea-72
0.259
MAR-TRE-3e4e6814-94
0.256
MAR-TRE-f6f5f473-46
0.255
MAR-TRE-8190bb11-8
0.255
BAR-COM-0f94fc3d-4
0.255
MAR-TRE-4b834d9a-70
0.254
MAR-TRE-f6f5f473-96
0.254
MAR-TRE-f6f5f473-45
0.254
MAR-TRE-4b834d9a-53
0.254
MAR-TRE-4b834d9a-68
0.254
MAR-TRE-04c86cea-58
0.254
MAR-TRE-04c86cea-20
0.254
MAK-UNK-10dfa458-10
0.253
AAR-UNI-c25c2f1e-101
0.252
MAR-TRE-3e4e6814-12
0.252
MAR-TRE-3e4e6814-97
0.252
MAR-TRE-74c6519b-93
0.252
MAR-TRE-04c86cea-60
0.252
TRY-UNI-1fd04853-5
0.250
MAK-UNK-752736de-2
0.250
MAK-UNK-af83ef51-6
0.250
MAR-TRE-67513f76-19
0.250
MAR-TRE-d0525fbf-5
0.250
MAR-TRE-3e4e6814-14
0.248
EDG-MED-0da5ad92-12
0.247
AAR-UNI-c25c2f1e-98
0.245
MAR-TRE-799db12b-44
0.245
MAR-TRE-9c797165-29
0.243
MAR-TRE-9d18ae8c-43
0.243
TRY-UNI-1fd04853-6
0.243
MAR-TRE-7f7bb9f0-17
0.243
MAK-UNK-af83ef51-13
0.242
MAR-TRE-f6f5f473-41
0.242
MAR-TRE-d0525fbf-6
0.242
MAR-TRE-d0525fbf-65
0.242
MAR-TRE-9c797165-50
0.241
MAR-TRE-4b834d9a-69
0.241
MAR-TRE-67513f76-29
0.241