Molecular Properties | |
SMILES: | C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(Cc2ccc(C#N)cc2)C1=O |
MW: | 363.12 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 91.66 |
cLogP: | 2.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
MAR-TRE-e86a56b5-95
0.760
MAR-TRE-e86a56b5-78
0.760
MAR-TRE-e86a56b5-44
0.552
MAR-TRE-e86a56b5-4
0.539
MAR-TRE-e86a56b5-72
0.538
JOH-UNI-e19b918c-9
0.392
JOH-UNI-e19b918c-3
0.347
MAK-UNK-7c9d1431-14
0.341
MAR-TRE-e86a56b5-96
0.330
MAR-TRE-d3c2bf0e-27
0.329
AAR-POS-d2a4d1df-31
0.329
JOH-UNI-e19b918c-8
0.329
JOH-UNI-e19b918c-11
0.326
MAR-TRE-0fda4e82-9
0.316
MAR-TRE-a3327163-47
0.312
JOH-IMS-0f19a540-10
0.312
SAD-SAT-2ceae68f-8
0.311
JOH-UNI-e19b918c-4
0.310
MAR-TRE-14ce9fd6-23
0.305
MAR-TRE-e86a56b5-54
0.303
MAR-TRE-fd17a9b8-77
0.302
MAR-TRE-fd17a9b8-13
0.301
MAT-POS-b5746674-52
0.295
MAR-TRE-f5c2d31c-59
0.291
AAR-POS-fca48359-13
0.290
FAR-UNI-9a76d7b5-3
0.290
MAR-TRE-d0525fbf-39
0.288
JOH-IMS-7e73aedd-1
0.287
MAR-TRE-92684b97-22
0.287
MAR-TRE-d0525fbf-57
0.287
MAR-TRE-b77b7921-14
0.284
MAR-TRE-8190bb11-17
0.280
MAR-TRE-36bf7dba-42
0.280
MAR-TRE-d0525fbf-52
0.279
MAR-TRE-04c86cea-61
0.278
MAK-UNK-6ca90168-14
0.276
DRR-IMP-38dce17f-7
0.276
LON-WEI-ff7b210a-1
0.275
MAR-TRE-d0525fbf-19
0.275
MAR-TRE-fd17a9b8-7
0.275
LON-WEI-4d77710c-55
0.274
LON-WEI-5e7d1b3e-55
0.274
MAR-TRE-fd17a9b8-38
0.274
MAR-TRE-d0525fbf-40
0.270
CHR-UNL-7577488f-1
0.268
MAR-TRE-d0525fbf-13
0.267
MAR-TRE-fd17a9b8-44
0.266
JOH-IMS-0f19a540-13
0.266
YUN-WES-58b0dbae-6
0.264
YUN-WES-85ecc354-1
0.264
MAR-TRE-b77b7921-64
0.263
MAR-TRE-04c86cea-37
0.263
MAR-TRE-04c86cea-98
0.263
MAR-TRE-b77b7921-79
0.263
MAR-TRE-b77b7921-94
0.263
MAR-TRE-74c6519b-22
0.261
MAR-TRE-b77b7921-56
0.259
LON-WEI-4d77710c-10
0.257
LON-WEI-5e7d1b3e-10
0.257
MAR-TRE-f6f5f473-13
0.256
MAR-TRE-d0525fbf-80
0.256
AAR-POS-0daf6b7e-43
0.256
JOH-UNI-e19b918c-6
0.255
DAV-UNK-07f953a2-3
0.254
MAR-TRE-a3327163-38
0.252
JAR-KUA-8c13982c-12
0.252
MAR-TRE-b77b7921-12
0.252
MAR-TRE-dab8f6ea-22
0.252
BRU-UNI-248b30bc-44
0.250
MAR-TRE-b77b7921-37
0.250
BEN-VAN-77cef4f8-13
0.248
BEN-VAN-77cef4f8-14
0.248
JOH-IMS-7e73aedd-8
0.244
JOH-IMS-0f19a540-2
0.244
MAR-TRE-b77b7921-38
0.244
MAR-TRE-aca67d11-9
0.242
JOH-IMS-0f19a540-14
0.242
MAR-TRE-6c5ef77a-13
0.242
MAT-POS-b5746674-90
0.241
MAR-LAB-ff9967db-28
0.240
JOH-IMS-0f19a540-9
0.240
KOV-VNK-5e1a909f-6
0.240
BRU-UNI-418e22dc-10
0.240
JOH-IMS-0f19a540-3
0.238
NJA-MAN-b9fb953f-2
0.238
JOH-IMS-7e73aedd-9
0.238
MAR-TRE-f6f5f473-32
0.238
MAT-POS-b5746674-88
0.238
MAR-TRE-04c86cea-28
0.237
LON-WEI-4d77710c-32
0.237
LON-WEI-5e7d1b3e-32
0.237
AAR-POS-d2a4d1df-21
0.237
JOH-IMS-0f19a540-8
0.235
MAR-TRE-3e4e6814-38
0.234
JOH-IMS-0f19a540-7
0.234
MAR-TRE-9d18ae8c-66
0.234
MAR-TRE-8a25d817-17
0.232
KOV-VNK-5e1a909f-5
0.231
MAR-TRE-6a44bbf2-54
0.229
MAK-UNK-7c9d1431-16
0.229