Molecular Properties | |
SMILES: | CC(=O)Nc1cccc(N2CCC(CO)C2)c1 |
MW: | 234.14 |
Fraction sp3: | 0.46 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 52.57 |
cLogP: | 1.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-c8c8f7e2-22
0.786
MAK-UNK-c8c8f7e2-23
0.772
MAK-UNK-c8c8f7e2-27
0.684
MAK-UNK-c8c8f7e2-25
0.507
MAK-UNK-7a704a63-13
0.484
MAK-UNK-c8c8f7e2-26
0.484
MAK-UNK-7a704a63-12
0.462
MAK-UNK-c8c8f7e2-28
0.449
MAK-UNK-7a704a63-14
0.449
MAK-UNK-c8c8f7e2-21
0.448
MAK-UNK-c8c8f7e2-42
0.448
MAK-UNK-c8c8f7e2-44
0.448
MAK-UNK-c8c8f7e2-30
0.439
MAK-UNK-c8c8f7e2-43
0.433
MAK-UNK-c8c8f7e2-29
0.429
MAK-UNK-6435e6c2-4
0.424
MAK-UNK-7a704a63-15
0.423
MAK-UNK-c8c8f7e2-14
0.418
MAK-UNK-7a704a63-2
0.418
MAK-UNK-7a704a63-3
0.412
MAK-UNK-c8c8f7e2-13
0.412
MAK-UNK-7a704a63-1
0.403
SAD-SAT-24589cd1-2
0.373
WIL-LEE-23e8b574-8
0.368
BAR-COM-4e090d3a-58
0.333
MAK-UNK-c8c8f7e2-16
0.324
MAK-UNK-c8c8f7e2-19
0.324
MAK-UNK-7a704a63-9
0.320
MAK-UNK-7a704a63-8
0.319
MAK-UNK-c8c8f7e2-15
0.319
MAK-UNK-c8c8f7e2-17
0.312
AAR-UNI-c25c2f1e-87
0.307
LON-WEI-8f408cad-1
0.303
MAK-UNK-7a704a63-10
0.303
AAR-POS-0daf6b7e-11
0.303
IND-SYN-6c8299e8-8
0.299
SWA-SYN-d2e6fa14-10
0.299
SWA-SYN-6423ea73-9
0.299
LON-WEI-120e5cf5-19
0.296
WIL-UNI-1faa9b10-23
0.291
MAK-UNK-c8c8f7e2-18
0.291
MAR-TRE-be9ff7d2-95
0.287
MAK-UNK-10dfa458-3
0.286
UNK-CYC-68f84b31-32
0.286
MAK-UNK-10dfa458-22
0.286
MAK-UNK-7a704a63-5
0.284
MAK-UNK-c8c8f7e2-10
0.284
WAR-XCH-b72a1bbc-14
0.275
MAK-UNK-de8f6d00-2
0.275
SAD-SAT-5b1897b2-4
0.274
BAR-COM-4e090d3a-60
0.270
RAL-MED-2de63afb-11
0.269
IND-SYN-6c8299e8-9
0.268
BAR-COM-0f94fc3d-53
0.266
MAR-TRE-6a44bbf2-43
0.266
AHN-SAT-de2502ba-6
0.266
JOO-IND-6372a4f3-3
0.265
JAN-GHE-1d98ec1c-7
0.265
LON-WEI-b8d98729-4
0.265
DRA-CSI-47e38074-2
0.265
MAK-UNK-7a704a63-16
0.263
MAK-UNK-c8c8f7e2-39
0.263
UNK-CYC-68f84b31-13
0.263
UNK-CYC-68f84b31-43
0.260
MAT-POS-b5746674-55
0.260
SAD-SAT-65574d3f-9
0.260
AHN-SAT-02ef6d10-3
0.260
BEN-DND-031a96cc-5
0.259
AAR-POS-d2a4d1df-38
0.259
RAL-MED-2de63afb-10
0.259
AHN-SAT-de2502ba-5
0.259
SWA-SYN-d2e6fa14-8
0.258
SWA-SYN-6423ea73-8
0.258
MAT-POS-162a9720-2
0.256
NIL-NON-a189c016-1
0.256
JOH-UNI-c7afdb96-8
0.256
MAR-TRE-66ac689e-72
0.256
RAL-MED-2de63afb-12
0.256
WAR-XCH-b72a1bbc-47
0.256
MAR-TRE-a9136c7b-42
0.256
MAK-UNK-1e8f9e3c-3
0.256
MAK-UNK-1e8f9e3c-5
0.256
MAK-UNK-902cc841-3
0.255
SAD-SAT-7d5528d9-35
0.255
MAK-UNK-9159f8ed-1
0.255
MAR-TRE-6a44bbf2-3
0.253
WAR-XCH-b72a1bbc-45
0.253
MAK-UNK-1e8f9e3c-1
0.253
MAK-UNK-9159f8ed-6
0.253
MAK-UNK-c8c8f7e2-40
0.250
JOH-UNI-c7afdb96-7
0.250
PAT-UNK-b2d83456-3
0.250
MAK-UNK-7a704a63-17
0.250
JAG-UCB-ef2c0e8e-2
0.250
MAR-TRE-d0525fbf-84
0.250
MAR-TRE-a9136c7b-57
0.250
DAN-MCD-02570321-1
0.248
MAK-UNK-902cc841-4
0.247
BAR-COM-0f94fc3d-33
0.247
WIL-UNI-5578df48-30
0.247