Molecular Properties | |
SMILES: | NC(=O)CCC1NC2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 |
MW: | 496.907 |
Fraction sp3: | 0.33 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 140.06 |
cLogP: | 1.2548 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1613719349 |
MolPort: | MolPort-002-532-086 |
phthalimide
Filter78_bicyclic_Imide
AAR-POS-d2a4d1df-1
FAR-UNI-9a76d7b5-3
1.000
JOH-UNI-e19b918c-9
0.327
MAR-TRE-d0525fbf-19
0.304
MAK-UNK-7c9d1431-14
0.303
SAD-SAT-2ceae68f-8
0.303
MAR-TRE-fd17a9b8-44
0.296
JOH-UNI-e19b918c-8
0.292
MAR-TRE-e86a56b5-80
0.290
MAT-POS-b5746674-52
0.290
MAR-TRE-74c6519b-22
0.289
LON-WEI-ff7b210a-1
0.283
MAR-TRE-b77b7921-64
0.282
MAR-TRE-b77b7921-79
0.282
MAR-TRE-e86a56b5-96
0.282
MAR-TRE-e86a56b5-72
0.271
MAR-TRE-b77b7921-14
0.271
MAR-TRE-d0525fbf-40
0.269
MAR-TRE-d3c2bf0e-27
0.269
AAR-POS-d2a4d1df-31
0.269
MAR-TRE-e86a56b5-95
0.268
MAR-TRE-e86a56b5-78
0.268
JOH-UNI-e19b918c-3
0.267
MAR-TRE-04c86cea-61
0.266
MAR-TRE-e86a56b5-44
0.262
JOH-UNI-e19b918c-11
0.261
MAR-TRE-b77b7921-56
0.259
MAR-TRE-d0525fbf-13
0.257
MAR-TRE-d0525fbf-80
0.257
MAR-TRE-d0525fbf-57
0.255
JOH-UNI-e19b918c-4
0.255
MAR-TRE-b77b7921-12
0.254
MAR-TRE-04c86cea-37
0.254
MAR-TRE-fd17a9b8-77
0.252
MAR-TRE-fd17a9b8-38
0.250
MAR-TRE-f6f5f473-13
0.248
LON-WEI-5e7d1b3e-10
0.248
LON-WEI-4d77710c-10
0.248
MAR-TRE-d0525fbf-52
0.248
MAR-TRE-e86a56b5-4
0.248
LON-WEI-4d77710c-55
0.244
LON-WEI-5e7d1b3e-55
0.244
MAR-TRE-04c86cea-98
0.244
MAR-TRE-b77b7921-94
0.244
JOH-IMS-0f19a540-13
0.243
BRU-UNI-248b30bc-44
0.243
MAR-TRE-b77b7921-37
0.243
MAR-TRE-f6f5f473-32
0.241
MAR-TRE-04c86cea-28
0.240
MAR-TRE-e86a56b5-54
0.239
FAR-UNI-736b943a-8
0.238
MAR-TRE-3e4e6814-38
0.238
AAR-POS-fca48359-10
0.238
MAR-TRE-36bf7dba-42
0.236
KOV-VNK-5e1a909f-5
0.236
MAR-TRE-92684b97-22
0.235
MAR-TRE-6a44bbf2-54
0.235
MAK-UNK-7c9d1431-16
0.235
AAR-POS-0daf6b7e-43
0.234
MAR-TRE-0fda4e82-9
0.231
MAR-TRE-b77b7921-38
0.230
MAR-TRE-fd17a9b8-13
0.229
JOH-IMS-7e73aedd-1
0.229
JOH-IMS-0f19a540-10
0.229
DAV-UNK-07f953a2-3
0.229
MAR-TRE-d0525fbf-39
0.228
MAR-TRE-dab8f6ea-22
0.227
MAR-LAB-ff9967db-28
0.227
MAR-TRE-f5c2d31c-59
0.227
KOV-VNK-5e1a909f-7
0.226
MAR-TRE-8190bb11-17
0.226
KOV-VNK-5e1a909f-6
0.225
MAR-TRE-a3327163-38
0.225
YUN-WES-58b0dbae-6
0.222
YUN-WES-85ecc354-1
0.222
MAR-TRE-fd17a9b8-7
0.222
MAR-TRE-8a25d817-17
0.217
JOH-UNI-e19b918c-6
0.216
MAR-TRE-aca67d11-9
0.215
CHR-UNL-7577488f-1
0.215
MAR-TRE-14ce9fd6-23
0.213
NJA-MAN-b9fb953f-2
0.213
MAT-POS-b5746674-88
0.207
JAR-KUA-8c13982c-12
0.206
ROD-LAS-d5538ff9-6
0.206
KEI-TRE-d5e2018a-5
0.205
JOH-IMS-0f19a540-2
0.204
JOH-IMS-7e73aedd-8
0.204
ROD-UFR-87309d29-1
0.203
JAR-KUA-8c13982c-15
0.203
VIT-UNK-cff011c0-1
0.201
MAR-TRE-a3327163-47
0.200
JON-UNI-93996c9d-5
0.200
MAR-TRE-6a44bbf2-94
0.200
MAR-UCB-fd2e172f-39
0.199
JAG-UCB-c61058a9-3
0.198
MAR-TRE-6a44bbf2-50
0.198
SAD-SAT-c989feaa-7
0.197
MAK-UNK-7c9d1431-18
0.197
JOH-IMS-0f19a540-7
0.197
JOH-IMS-0f19a540-3
0.196