Molecular Properties | |
SMILES: | C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(Cc2ccc(F)cc2)C1=O |
MW: | 356.12 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 67.87 |
cLogP: | 2.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
MAR-TRE-e86a56b5-78
0.803
MAR-TRE-e86a56b5-80
0.760
MAR-TRE-e86a56b5-44
0.578
MAR-TRE-e86a56b5-4
0.565
MAR-TRE-e86a56b5-72
0.545
JOH-UNI-e19b918c-9
0.413
MAR-TRE-b77b7921-14
0.374
MAK-UNK-7c9d1431-14
0.357
MAR-TRE-d3c2bf0e-27
0.346
AAR-POS-d2a4d1df-31
0.346
JOH-UNI-e19b918c-8
0.346
MAR-TRE-e86a56b5-96
0.329
JOH-IMS-0f19a540-10
0.329
JOH-UNI-e19b918c-11
0.326
SAD-SAT-2ceae68f-8
0.326
JOH-UNI-e19b918c-4
0.325
JOH-UNI-e19b918c-3
0.319
MAR-TRE-e86a56b5-54
0.318
MAR-TRE-fd17a9b8-13
0.315
MAR-TRE-8190bb11-17
0.305
MAR-TRE-f5c2d31c-59
0.303
MAR-TRE-fd17a9b8-77
0.301
MAR-TRE-d0525fbf-39
0.299
MAT-POS-b5746674-52
0.294
MAR-TRE-36bf7dba-42
0.292
MAR-TRE-d0525fbf-52
0.290
MAR-TRE-fd17a9b8-7
0.286
MAR-TRE-fd17a9b8-38
0.286
LON-WEI-ff7b210a-1
0.286
JOH-IMS-7e73aedd-1
0.286
MAR-TRE-b77b7921-12
0.284
LON-WEI-5e7d1b3e-55
0.284
LON-WEI-4d77710c-55
0.284
MAR-TRE-a3327163-47
0.284
MAR-TRE-b77b7921-37
0.282
MAR-TRE-74c6519b-22
0.281
CHR-UNL-7577488f-1
0.280
MAR-TRE-04c86cea-61
0.276
MAR-TRE-d0525fbf-57
0.274
MAR-TRE-0fda4e82-9
0.274
MAR-TRE-92684b97-22
0.274
MAR-TRE-d0525fbf-19
0.274
MAR-TRE-b77b7921-94
0.273
FAR-UNI-9a76d7b5-3
0.268
AAR-POS-fca48359-13
0.268
MAR-TRE-d0525fbf-40
0.268
AAR-POS-0daf6b7e-43
0.267
LON-WEI-5e7d1b3e-10
0.266
LON-WEI-4d77710c-10
0.266
MAR-TRE-aca67d11-9
0.266
MAR-TRE-d0525fbf-80
0.265
MAR-TRE-d0525fbf-13
0.265
MAR-TRE-fd17a9b8-44
0.264
MAR-TRE-14ce9fd6-23
0.263
MAR-TRE-b77b7921-64
0.261
MAR-TRE-b77b7921-79
0.261
MAR-TRE-04c86cea-98
0.261
MAR-TRE-04c86cea-37
0.261
BRU-UNI-248b30bc-44
0.258
KOV-VNK-5e1a909f-7
0.258
MAR-LAB-ff9967db-28
0.258
MAR-TRE-b77b7921-56
0.257
MAR-TRE-f6f5f473-13
0.254
JOH-UNI-e19b918c-6
0.253
DAV-UNK-07f953a2-3
0.252
YUN-WES-58b0dbae-6
0.252
YUN-WES-85ecc354-1
0.252
MAT-POS-b5746674-90
0.250
JOH-IMS-0f19a540-3
0.250
JOH-IMS-7e73aedd-9
0.250
JAR-KUA-8c13982c-12
0.250
MAR-TRE-dab8f6ea-22
0.250
KOV-VNK-5e1a909f-6
0.248
MAT-POS-b5746674-88
0.246
JOH-IMS-0f19a540-7
0.244
MAR-TRE-9d18ae8c-66
0.243
MAR-TRE-8a25d817-17
0.242
MAR-TRE-b77b7921-38
0.242
JOH-IMS-0f19a540-2
0.241
JOH-IMS-7e73aedd-8
0.241
KOV-VNK-5e1a909f-5
0.239
MAK-UNK-7c9d1431-16
0.239
MAR-TRE-6a44bbf2-54
0.239
ROD-LAS-d5538ff9-6
0.238
JOH-IMS-0f19a540-9
0.237
BRU-UNI-418e22dc-10
0.237
JOH-IMS-0f19a540-13
0.237
ANT-OPE-d972fbad-1
0.235
NJA-MAN-b9fb953f-2
0.235
ANT-OPE-22dd17b6-1
0.235
MAR-TRE-f6f5f473-32
0.235
MAR-TRE-04c86cea-28
0.234
ANT-OPE-42b176cc-2
0.233
MAR-TRE-a9136c7b-62
0.232
MAR-TRE-3e4e6814-38
0.232
JOH-IMS-0f19a540-12
0.232
MAR-TRE-4f781e27-53
0.231
JOH-IMS-7e73aedd-2
0.230
MAR-TRE-a9136c7b-71
0.228
MAR-TRE-a3327163-38
0.226