Molecular Properties | |
SMILES: | CC(C)SCc1ccc2c(c1)OCO2 |
MW: | 210.07 |
Fraction sp3: | 0.45 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 18.46 |
cLogP: | 3.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JOH-IMS-7e73aedd-1
0.452
MAR-TRE-e86a56b5-54
0.441
JOH-UNI-e19b918c-9
0.436
MAR-TRE-fd17a9b8-13
0.429
JOH-UNI-e19b918c-8
0.414
MAR-TRE-d3c2bf0e-27
0.414
AAR-POS-d2a4d1df-31
0.414
MAR-TRE-14ce9fd6-23
0.409
JOH-UNI-e19b918c-4
0.407
JOH-IMS-cc7b4c67-9
0.391
MAR-TRE-e86a56b5-96
0.387
JOH-IMS-0f19a540-1
0.382
JOH-IMS-7e73aedd-7
0.382
SAD-SAT-2ceae68f-8
0.381
MAK-UNK-7c9d1431-14
0.381
MAR-TRE-fd17a9b8-38
0.364
JOH-IMS-0f19a540-11
0.359
MAR-TRE-a3327163-47
0.357
JOH-IMS-7e73aedd-2
0.356
JOH-IMS-0f19a540-3
0.352
JOH-IMS-7e73aedd-9
0.352
MAR-TRE-8190bb11-17
0.347
MAR-TRE-36bf7dba-42
0.347
MAR-TRE-e86a56b5-78
0.347
ANT-OPE-22dd17b6-1
0.345
MAR-TRE-0fda4e82-9
0.343
MAR-TRE-fd17a9b8-77
0.343
MAR-TRE-f5c2d31c-59
0.342
JOH-IMS-0f19a540-14
0.338
JOH-UNI-e19b918c-11
0.338
ANT-OPE-42b176cc-2
0.333
MAR-TRE-e86a56b5-95
0.329
JOH-UNI-e19b918c-3
0.329
JOH-IMS-0f19a540-8
0.324
MAR-TRE-6c5ef77a-13
0.323
MAR-TRE-fd17a9b8-7
0.320
MAR-TRE-e86a56b5-44
0.316
MAR-TRE-b77b7921-94
0.314
LON-WEI-5e7d1b3e-55
0.314
LON-WEI-4d77710c-55
0.314
MAR-TRE-e86a56b5-72
0.313
MAR-TRE-e86a56b5-80
0.312
JOH-IMS-0f19a540-9
0.310
MAR-TRE-e86a56b5-4
0.309
JOH-IMS-0f19a540-7
0.308
MAR-TRE-d0525fbf-40
0.307
JOH-IMS-7e73aedd-8
0.306
JOH-IMS-0f19a540-2
0.306
JOH-IMS-0f19a540-12
0.304
NJA-MAN-b9fb953f-2
0.303
MAR-TRE-a9136c7b-62
0.301
LON-WEI-ff7b210a-1
0.301
CHR-UNL-7577488f-1
0.296
BRU-UNI-418e22dc-10
0.294
KOV-VNK-5e1a909f-6
0.293
BRU-UNI-248b30bc-44
0.292
LON-WEI-4d77710c-10
0.291
MAR-TRE-d0525fbf-52
0.291
LON-WEI-5e7d1b3e-10
0.291
MAR-TRE-04c86cea-61
0.289
MAR-TRE-fd17a9b8-44
0.289
MAR-TRE-d0525fbf-13
0.289
MAR-TRE-d0525fbf-39
0.287
MAR-TRE-d0525fbf-19
0.286
MAR-TRE-92684b97-22
0.286
MAR-TRE-04c86cea-98
0.284
MAR-TRE-b77b7921-64
0.284
MAR-TRE-04c86cea-37
0.284
MAR-TRE-dab8f6ea-22
0.283
KOV-VNK-5e1a909f-5
0.283
MAR-TRE-b77b7921-14
0.282
MAR-TRE-8a25d817-17
0.282
ANT-OPE-224c11b5-1
0.281
AAR-POS-0daf6b7e-43
0.281
MAR-TRE-aca67d11-9
0.278
MAR-TRE-6a44bbf2-94
0.277
JOH-IMS-0f19a540-13
0.275
MAR-TRE-f6f5f473-13
0.275
MAR-TRE-d0525fbf-57
0.272
DAV-UNK-07f953a2-3
0.272
MAR-TRE-a3327163-38
0.272
JON-UNI-93996c9d-5
0.271
MAR-TRE-b77b7921-12
0.270
MAR-TRE-b77b7921-79
0.270
YUN-WES-85ecc354-1
0.269
YUN-WES-58b0dbae-6
0.269
MAR-TRE-b77b7921-37
0.267
MAT-POS-b5746674-52
0.267
JON-UNI-93996c9d-3
0.266
KOV-VNK-5e1a909f-7
0.265
MAR-TRE-b77b7921-56
0.264
MAR-TRE-d0525fbf-80
0.261
MAR-TRE-a9136c7b-71
0.260
MAT-POS-b5746674-90
0.256
MAR-TRE-6a44bbf2-50
0.254
MAR-TRE-74c6519b-22
0.253
MAR-LAB-ff9967db-28
0.252
MAR-TRE-f6f5f473-32
0.250
JAR-KUA-8c13982c-12
0.241
LON-WEI-8f408cad-11
0.237