Molecular Properties | |
SMILES: | O=C(CSc1nccc(O)n1)NCc1ccc2c(c1)OCO2 |
MW: | 319.06 |
Fraction sp3: | 0.21 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 93.57 |
cLogP: | 1.32 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z19632734 |
Enamine REAL: | Z19632734 |
Enamine Extended REAL: | s_7____26779____5208 |
Mcule: | MCULE-7272885250 |
MolPort: | MolPort-008-040-024 |
AAR-POS-d2a4d1df-31
0.528
JOH-UNI-e19b918c-4
0.461
MAR-TRE-d0525fbf-52
0.448
MAR-TRE-d0525fbf-39
0.443
MAR-TRE-d0525fbf-80
0.426
MAR-TRE-fd17a9b8-13
0.422
MAR-LAB-ff9967db-28
0.414
MAR-TRE-f5c2d31c-10
0.407
MAR-TRE-fd17a9b8-77
0.402
MAR-TRE-f5c2d31c-67
0.400
MAR-TRE-fd17a9b8-7
0.396
DAV-UNK-07f953a2-3
0.381
LON-WEI-4d77710c-10
0.376
LON-WEI-5e7d1b3e-10
0.376
LON-WEI-4d77710c-55
0.369
LON-WEI-5e7d1b3e-55
0.369
MAR-TRE-a3327163-47
0.367
MAR-TRE-e86a56b5-54
0.361
MAR-TRE-92684b97-22
0.360
MAR-TRE-0fda4e82-9
0.356
MAR-TRE-fd17a9b8-44
0.350
YUN-WES-58b0dbae-6
0.345
YUN-WES-85ecc354-1
0.345
MAR-TRE-36bf7dba-42
0.344
JOH-IMS-0f19a540-10
0.342
JOH-UNI-e19b918c-9
0.338
MAK-UNK-7c9d1431-14
0.337
MAR-TRE-d0525fbf-19
0.333
MAR-TRE-d0525fbf-57
0.330
MAR-TRE-e86a56b5-72
0.330
MAR-TRE-8190bb11-17
0.330
MAR-TRE-e86a56b5-96
0.326
JOH-UNI-e19b918c-8
0.325
MAR-TRE-d0525fbf-40
0.324
SAD-SAT-2ceae68f-8
0.322
MAR-TRE-d0525fbf-13
0.321
LON-WEI-ff7b210a-1
0.320
MAR-TRE-aca67d11-9
0.319
ARI-TAT-5792557e-1
0.318
JON-UNI-93996c9d-5
0.315
MAR-TRE-e86a56b5-44
0.307
MAR-TRE-b77b7921-14
0.305
MAR-TRE-e86a56b5-95
0.303
MAR-TRE-14ce9fd6-23
0.301
MAR-TRE-e86a56b5-4
0.301
MAR-TRE-b77b7921-56
0.300
MAR-TRE-f6f5f473-32
0.298
MAR-TRE-04c86cea-61
0.298
MAR-TRE-d3c2bf0e-27
0.294
MAR-TRE-b77b7921-12
0.294
MAR-TRE-b77b7921-94
0.294
MAR-TRE-8a25d817-17
0.293
MAR-TRE-e86a56b5-80
0.291
MAR-TRE-b77b7921-37
0.291
MAR-TRE-e86a56b5-78
0.290
JOH-UNI-e19b918c-3
0.289
KOV-VNK-5e1a909f-7
0.288
MAR-TRE-fd17a9b8-38
0.283
JOH-IMS-7e73aedd-1
0.283
MAR-TRE-b77b7921-79
0.282
MAR-TRE-b77b7921-64
0.282
MAR-TRE-04c86cea-98
0.282
MAR-TRE-04c86cea-37
0.282
MAR-TRE-fd17a9b8-40
0.282
JOH-UNI-e19b918c-11
0.281
MAR-TRE-74c6519b-22
0.278
BRU-UNI-248b30bc-44
0.277
MAR-TRE-f6f5f473-13
0.274
MAR-TRE-04c86cea-28
0.272
MAR-TRE-a3327163-38
0.272
MAR-TRE-3e4e6814-38
0.270
MAR-TRE-b77b7921-38
0.270
MAR-TRE-dab8f6ea-22
0.270
KOV-VNK-5e1a909f-5
0.270
MAT-POS-b5746674-52
0.268
JON-UNI-93996c9d-3
0.267
KOV-VNK-5e1a909f-6
0.267
MAR-TRE-7f7bb9f0-28
0.266
AAR-POS-0daf6b7e-43
0.264
CHR-UNL-7577488f-1
0.263
MAR-TRE-a3327163-43
0.263
JOH-IMS-0f19a540-3
0.263
JOH-IMS-7e73aedd-9
0.263
MAR-TRE-a3327163-20
0.258
MAR-TRE-a9136c7b-62
0.255
MAR-TRE-4f781e27-53
0.252
MAR-TRE-9d18ae8c-66
0.252
MAR-TRE-a9136c7b-71
0.250
MAR-TRE-a3327163-30
0.248
JOH-IMS-0f19a540-13
0.247
MAR-TRE-1c920f6f-4
0.245
NJA-MAN-b9fb953f-2
0.245
MAR-TRE-a3327163-36
0.243
JOH-IMS-0f19a540-12
0.242
JOH-IMS-0f19a540-7
0.242
JOH-IMS-7e73aedd-2
0.241
MAR-TRE-6a44bbf2-60
0.241
ROD-LAS-d5538ff9-5
0.241
JOH-IMS-7e73aedd-7
0.238
JOH-IMS-0f19a540-1
0.238