Molecular Properties | |
SMILES: | N#Cc1ccc(CNC(=O)N2CCOCC2)c(CN2CCC(O)CC2)c1 |
MW: | 358.2 |
Fraction sp3: | 0.58 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 88.83 |
cLogP: | 1.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-8
JAN-GHE-fd8d85a5-12
0.740
TAM-UNI-d1c3dd9f-1
0.704
DAR-DIA-fb20be43-16
0.704
WIL-LEE-1f71e281-1
0.628
SCO-VAN-260d9628-4
0.576
MAK-UNK-ec98eaf6-25
0.558
SAD-SAT-f25ee457-9
0.557
SAD-SAT-f25ee457-3
0.521
PET-SGC-276eba5a-1
0.521
TRY-UNI-9f475305-1
0.484
STU-CHA-6cae54d3-1
0.473
AAR-POS-d2a4d1df-21
0.456
PET-SGC-cb83a00c-1
0.434
PET-SGC-0ecb2cfe-1
0.419
DAR-DIA-fb20be43-17
0.418
PAU-WEI-f734c343-2
0.407
ANT-DIA-b7f58f21-9
0.394
SAD-SAT-f25ee457-2
0.388
PAT-GYR-359dbb24-1
0.386
MAK-UNK-10799360-12
0.385
PET-SGC-39d74636-2
0.379
JAN-UNI-2e92c4b1-3
0.379
PAT-GYR-359dbb24-2
0.376
PAT-GYR-359dbb24-3
0.371
PAT-GYR-de8eec61-4
0.371
TAM-UNI-d1c3dd9f-12
0.368
PAT-GYR-359dbb24-4
0.368
PAT-GYR-de8eec61-5
0.365
MAR-UNI-9d4da90d-6
0.360
TAM-UNI-d1c3dd9f-21
0.358
PAT-GYR-359dbb24-5
0.352
PAT-GYR-de8eec61-1
0.344
STU-CHA-7b3b91d5-1
0.343
CES-WAB-18e74d70-2
0.337
PAT-GYR-de8eec61-7
0.337
PAT-GYR-de8eec61-6
0.337
DAR-DIA-fb20be43-18
0.337
JAN-GHE-fd8d85a5-8
0.333
PHI-UNK-c3ab17cb-1
0.333
PAT-GYR-de8eec61-2
0.333
SAM-UNK-2684b532-9
0.330
PAT-GYR-de8eec61-3
0.324
DAR-DIA-caba39e3-12
0.322
MAK-UNK-10799360-19
0.321
ROB-UNI-b2e39629-12
0.321
MAK-UNK-acefcb18-25
0.315
MAK-UNK-1cb0e944-12
0.312
TAM-UNI-d1c3dd9f-18
0.312
TAM-UNI-d1c3dd9f-17
0.312
KIM-UNI-7d12df64-2
0.312
STU-CHA-5350f95a-1
0.311
SAM-UNK-2684b532-8
0.310
DAR-DIA-fb20be43-3
0.309
CAM-STU-3ef21e73-1
0.303
MAK-UNK-5e88aa6a-5
0.296
MAK-UNK-1cb0e944-3
0.296
MAR-UNI-9d4da90d-5
0.295
SAM-UNK-903735bd-1
0.294
STU-CHA-128b80be-1
0.294
MAK-UNK-31051d4e-3
0.291
JOR-UNI-61e7b1d5-6
0.289
PET-SGC-39d74636-1
0.289
SAD-SAT-24589cd1-6
0.287
MAR-TRE-fd17a9b8-36
0.287
SWA-SYN-6423ea73-7
0.286
SWA-SYN-d2e6fa14-7
0.286
MAK-UNK-acefcb18-20
0.286
TAM-UNI-d1c3dd9f-7
0.286
JON-UIO-066ce08b-10
0.286
MAK-UNK-acefcb18-27
0.284
MAR-TRE-dab8f6ea-45
0.283
DUN-NEW-f8ce3686-11
0.282
MAK-UNK-1cb0e944-6
0.281
MAK-UNK-5e88aa6a-8
0.281
DAR-DIA-fb20be43-6
0.280
PAT-UNK-b2d83456-5
0.276
JOH-MSK-d60b0211-1
0.276
JOR-UNI-61e7b1d5-5
0.273
MAK-UNK-acefcb18-24
0.271
STU-CHA-6d5cfe2b-1
0.271
MAK-UNK-e4a48a85-3
0.269
MAK-UNK-31051d4e-1
0.269
DAR-DIA-caba39e3-13
0.269
STU-CHA-128b80be-2
0.269
SEB-EST-28768d06-1
0.269
PAT-UNK-b2d83456-1
0.267
MAK-UNK-10dfa458-38
0.267
TRY-UNI-9f475305-9
0.264
MAK-UNK-e4a48a85-18
0.264
MAK-UNK-acefcb18-21
0.264
PAU-UNI-52c0427f-1
0.263
TRY-UNI-1fd04853-4
0.263
DAR-DIA-fb20be43-4
0.263
BRU-LEF-ae0885ba-1
0.263
SAM-UNK-83e03154-1
0.262
DRR-IMP-38dce17f-7
0.261
MAK-UNK-6ca90168-14
0.261
MAK-UNK-acefcb18-26
0.261
MAK-UNK-e4a48a85-19
0.261
JOR-UNI-61e7b1d5-25
0.261