Molecular Properties | |
SMILES: | O=C(CN1C(=O)CSc2ncccc21)NCc1ccc2c(c1)OCO2 |
MW: | 357.08 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 80.76 |
cLogP: | 1.57 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8415217900 |
MolPort: | MolPort-007-676-905 |
MAR-TRE-d0525fbf-80
0.719
MAR-TRE-4b834d9a-94
0.615
MAR-TRE-4b834d9a-70
0.570
MAR-TRE-4b834d9a-68
0.557
MAR-TRE-4b834d9a-53
0.557
MAR-TRE-d0525fbf-69
0.547
MAR-TRE-67513f76-19
0.538
MAR-TRE-67513f76-29
0.527
MAR-TRE-9c797165-29
0.521
MAR-TRE-d0525fbf-39
0.520
MAR-TRE-74c6519b-93
0.485
MAR-TRE-7f7bb9f0-88
0.475
AAR-POS-d2a4d1df-31
0.469
MAR-TRE-4b834d9a-66
0.451
MAR-TRE-74c6519b-98
0.450
MAR-TRE-3e4e6814-84
0.449
MAR-TRE-f5c2d31c-59
0.448
JOH-UNI-e19b918c-4
0.429
MAR-TRE-3e4e6814-97
0.413
MAR-TRE-fd17a9b8-13
0.396
MAR-TRE-fd17a9b8-77
0.394
MAR-TRE-9c797165-64
0.393
MAR-TRE-9c797165-50
0.387
MAR-TRE-0fda4e82-9
0.379
MAR-TRE-d0525fbf-57
0.375
MAR-TRE-fd17a9b8-7
0.374
MAR-TRE-d0525fbf-40
0.357
MAR-TRE-d0525fbf-19
0.355
MAR-TRE-d0525fbf-13
0.354
LON-WEI-5e7d1b3e-55
0.351
LON-WEI-4d77710c-55
0.351
DAV-UNK-07f953a2-3
0.351
MAR-TRE-fd17a9b8-44
0.346
LON-WEI-4d77710c-10
0.345
LON-WEI-5e7d1b3e-10
0.345
MAR-TRE-92684b97-22
0.343
MAR-TRE-36bf7dba-42
0.340
MAR-TRE-e86a56b5-72
0.339
MAR-LAB-ff9967db-28
0.339
MAR-TRE-b77b7921-56
0.333
MAR-TRE-e86a56b5-54
0.326
MAR-TRE-b77b7921-38
0.323
MAR-TRE-74c6519b-22
0.322
MAR-TRE-04c86cea-61
0.321
YUN-WES-58b0dbae-6
0.320
YUN-WES-85ecc354-1
0.320
MAR-TRE-a3327163-47
0.320
JOH-UNI-e19b918c-9
0.318
MAR-TRE-b77b7921-14
0.315
MAR-TRE-dab8f6ea-22
0.314
MAR-TRE-04c86cea-28
0.312
MAR-TRE-3e4e6814-38
0.312
MAR-TRE-f6f5f473-32
0.308
MAR-TRE-e86a56b5-44
0.306
MAK-UNK-7c9d1431-14
0.305
MAR-TRE-b77b7921-94
0.304
MAR-TRE-04c86cea-37
0.304
MAR-TRE-b77b7921-79
0.304
MAR-TRE-04c86cea-98
0.304
MAR-TRE-b77b7921-12
0.304
MAR-TRE-b77b7921-64
0.304
MAR-TRE-b77b7921-37
0.302
ARI-TAT-5792557e-1
0.297
MAR-TRE-f6f5f473-13
0.297
JOH-UNI-e19b918c-8
0.293
SAD-SAT-2ceae68f-8
0.292
JOH-IMS-0f19a540-10
0.291
MAR-TRE-e86a56b5-78
0.290
MAR-TRE-e86a56b5-95
0.290
MAR-TRE-7f7bb9f0-28
0.289
MAR-TRE-e86a56b5-4
0.288
MAR-TRE-b77b7921-48
0.288
MAR-TRE-04c86cea-72
0.284
LON-WEI-ff7b210a-1
0.283
MAR-TRE-b77b7921-99
0.283
MAR-TRE-2fd8122f-43
0.283
MAR-TRE-f6f5f473-22
0.282
MAR-TRE-74c6519b-45
0.282
MAR-TRE-67513f76-10
0.282
JOH-UNI-e19b918c-11
0.282
MAR-TRE-e86a56b5-96
0.281
MAR-TRE-f6f5f473-45
0.280
MAR-TRE-f6f5f473-72
0.280
MAR-TRE-f6f5f473-96
0.280
MAR-TRE-d3c2bf0e-27
0.280
MAR-TRE-e86a56b5-80
0.279
MAR-TRE-3e4e6814-17
0.278
MAR-TRE-4b834d9a-69
0.278
MAR-TRE-04c86cea-60
0.278
MAR-TRE-f6f5f473-20
0.277
MAR-TRE-9c797165-53
0.277
MAR-TRE-9c797165-54
0.277
MAR-TRE-8190bb11-17
0.276
MAR-TRE-4b834d9a-91
0.275
MAR-TRE-04c86cea-33
0.275
MAR-TRE-d0525fbf-70
0.275
MAR-TRE-4b834d9a-22
0.274
MAR-TRE-4b834d9a-60
0.273
MAR-TRE-b77b7921-11
0.273
JON-UNI-93996c9d-5
0.273