Molecular Properties | |
SMILES: | CC(C)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc2c(c1)OCO2 |
MW: | 398.22 |
Fraction sp3: | 0.65 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 76.66 |
cLogP: | 3.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z51811020 |
Enamine REAL: | Z51811020 |
Mcule: | MCULE-2943376707 |
MolPort: | MolPort-004-163-954 |
adamantyl
Dipeptide
NJA-MAN-b8640440-4
0.451
LON-WEI-adc59df6-43
0.327
MAR-TRE-e86a56b5-54
0.325
MAR-TRE-fd17a9b8-13
0.322
MAR-TRE-a9136c7b-62
0.319
JOH-UNI-e19b918c-4
0.317
LON-WEI-4d77710c-55
0.314
LON-WEI-5e7d1b3e-55
0.314
JOH-IMS-7e73aedd-1
0.307
JOH-IMS-0f19a540-12
0.307
AAR-POS-d2a4d1df-31
0.305
JOH-IMS-0f19a540-10
0.303
NJA-MAN-b9fb953f-8
0.301
JOH-IMS-0f19a540-7
0.294
JOH-IMS-0f19a540-3
0.289
JOH-IMS-7e73aedd-9
0.289
CHR-UNL-7577488f-1
0.286
MAR-TRE-8190bb11-17
0.284
MAR-TRE-2fd8122f-71
0.283
MAR-TRE-fd17a9b8-77
0.280
JOH-IMS-0f19a540-1
0.278
JOH-IMS-7e73aedd-7
0.278
JOH-IMS-7e73aedd-8
0.277
JOH-IMS-0f19a540-2
0.277
MAR-TRE-e86a56b5-96
0.276
MAK-UNK-7c9d1431-14
0.273
MAR-TRE-6a44bbf2-74
0.272
MAR-TRE-a9136c7b-71
0.271
MAR-TRE-92684b97-22
0.267
MAR-TRE-6a44bbf2-17
0.265
JOH-UNI-e19b918c-11
0.263
JON-UNI-93996c9d-3
0.263
MAR-TRE-d0525fbf-52
0.259
AAR-POS-0daf6b7e-43
0.259
SAD-SAT-2ceae68f-8
0.258
JOH-IMS-0f19a540-14
0.258
JOH-IMS-0f19a540-11
0.258
JOH-UNI-e19b918c-6
0.258
YUN-WES-58b0dbae-6
0.256
YUN-WES-85ecc354-1
0.256
JOH-IMS-0f19a540-13
0.256
JOH-UNI-e19b918c-9
0.253
JON-UNI-93996c9d-5
0.253
MAR-TRE-0fda4e82-9
0.253
MAR-TRE-fd17a9b8-7
0.253
MAR-TRE-e86a56b5-44
0.252
MAR-TRE-e86a56b5-72
0.252
JOH-IMS-0f19a540-8
0.250
MAR-TRE-d0525fbf-40
0.250
JOH-IMS-7e73aedd-2
0.250
KEI-TRE-d5e2018a-5
0.248
MAR-TRE-d0525fbf-80
0.248
MAR-TRE-e86a56b5-78
0.248
MAR-TRE-4f781e27-53
0.248
MAR-TRE-9d18ae8c-66
0.248
LON-WEI-adc59df6-4
0.246
MAR-TRE-fd17a9b8-44
0.245
MAR-TRE-f5c2d31c-59
0.245
JOH-UNI-e19b918c-3
0.245
MAR-TRE-36bf7dba-42
0.245
MAR-TRE-aca67d11-9
0.245
JOH-UNI-e19b918c-8
0.244
MAK-UNK-f983951f-3
0.243
MAR-TRE-a3327163-38
0.243
MAR-TRE-7f7bb9f0-47
0.242
MAR-TRE-74c6519b-52
0.242
BRU-UNI-418e22dc-10
0.242
BRU-UNI-248b30bc-44
0.242
MAT-POS-b5746674-52
0.241
MAR-TRE-67513f76-47
0.239
MAR-TRE-7f7bb9f0-28
0.239
MAR-TRE-e86a56b5-80
0.238
MAR-TRE-9c797165-24
0.238
ARI-TAT-5792557e-1
0.237
LON-WEI-4d77710c-10
0.236
LON-WEI-5e7d1b3e-10
0.236
MAR-TRE-e86a56b5-95
0.235
MAR-TRE-a9136c7b-74
0.235
MAR-TRE-d0525fbf-39
0.234
MAR-TRE-8a25d817-17
0.234
MAR-LAB-ff9967db-28
0.232
LON-WEI-ff7b210a-1
0.231
ROD-LAS-d5538ff9-6
0.231
MAR-TRE-d3c2bf0e-27
0.230
BRU-UNI-248b30bc-1
0.230
JOH-IMS-0f19a540-9
0.229
LON-WEI-0a73fcb8-6
0.229
LON-WEI-b8d98729-3
0.227
LON-WEI-8f408cad-11
0.227
MAR-TRE-d0525fbf-13
0.226
JAR-KUA-8c13982c-15
0.225
MAT-POS-b5746674-30
0.225
MAR-TRE-6a44bbf2-84
0.225
MAR-TRE-a3327163-47
0.224
ROD-LAS-d5538ff9-5
0.224
MAR-TRE-2fd8122f-1
0.224
AAR-UNI-c25c2f1e-22
0.224
DAV-UNK-07f953a2-3
0.224
MAR-TRE-d0525fbf-57
0.224
MAR-TRE-fd17a9b8-38
0.223