Molecular Properties | |
SMILES: | CC(=O)N1CCN(C(c2ccccc2)N2CCC(O)CC2)CC1 |
MW: | 317.433 |
Fraction sp3: | 0.61 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 47.02 |
cLogP: | 1.306 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
non_ring_acetal
Methylendiamines (1)
acyclic N-C-N
SEL-UNI-cd366922-5
0.732
MIH-UNI-e573136b-7
0.486
ALP-POS-90c18d1d-1
0.366
SIM-SYN-f15aaa3a-1
0.359
DRA-CSI-47e38074-2
0.339
MAK-UNK-6ca90168-12
0.338
MAK-UNK-af83ef51-2
0.338
MAK-UNK-10dfa458-9
0.338
MAK-UNK-b1d4dcd7-6
0.337
GIA-UNK-20b63697-5
0.329
GIA-UNK-7337c2f3-4
0.329
GIA-UNK-7337c2f3-7
0.329
WAR-XCH-bdd24732-1
0.328
GIA-UNK-20b63697-6
0.324
AAR-POS-fca48359-5
0.319
SAM-UNK-2684b532-10
0.318
GIA-UNK-7337c2f3-8
0.316
GIA-UNK-7337c2f3-9
0.316
GIA-UNK-7337c2f3-1
0.315
GIA-UNK-c4371e97-2
0.314
MAR-TRE-6a44bbf2-92
0.314
WIL-LEE-23e8b574-1
0.313
GIA-UNK-20b63697-2
0.312
GIA-UNK-20b63697-3
0.312
GIA-UNK-20b63697-4
0.312
NAU-LAT-a5c7d7cb-5
0.310
GIA-UNK-20b63697-7
0.310
MAK-UNK-31051d4e-4
0.310
GIA-UNK-20b63697-8
0.308
GIA-UNK-7337c2f3-3
0.307
GIA-UNK-7337c2f3-6
0.307
GIA-UNK-7337c2f3-10
0.307
GIA-UNK-4de5abb1-1
0.307
MAK-UNK-6ca90168-11
0.304
SEL-UNI-cd366922-2
0.303
GIA-UNK-7337c2f3-2
0.303
DAR-DIA-3e9bbd81-12
0.303
MAK-UNK-e4a48a85-13
0.301
GIA-UNK-7337c2f3-12
0.299
GIA-UNK-7337c2f3-5
0.299
MED-COV-4280ac29-21
0.298
GIA-UNK-20b63697-1
0.297
GIA-UNK-20b63697-9
0.293
MAK-UNK-5e88aa6a-11
0.288
GIA-UNK-7337c2f3-11
0.287
JON-UIO-066ce08b-5
0.286
MAK-UNK-b1d4dcd7-7
0.286
DAR-DIA-3e9bbd81-11
0.284
YOI-UNK-a533afbc-6
0.284
YOI-UNK-12211982-6
0.284
GIA-UNK-7337c2f3-13
0.284
MAK-UNK-6435e6c2-2
0.284
MAK-UNK-902cc841-2
0.282
GIA-UNK-7337c2f3-15
0.280
NIM-UNI-ed9fc491-3
0.278
MAK-UNK-10dfa458-39
0.276
DUN-NEW-f8ce3686-11
0.276
MIH-UNI-e573136b-6
0.276
MAK-UNK-902cc841-1
0.276
GIA-UNK-c4371e97-1
0.275
MIC-UNK-6ab519a7-1
0.275
NIR-THE-590dedc7-1
0.275
NAU-LAT-a5c7d7cb-2
0.275
MIC-UNK-5a93dd5f-10
0.275
PET-SGC-a8a902d9-1
0.275
PAU-WEI-b9b69149-1
0.274
NAU-LAT-a5c7d7cb-6
0.273
MAK-UNK-902cc841-5
0.272
JON-UIO-066ce08b-3
0.271
MAK-UNK-3e0761f8-9
0.271
GIA-UNK-7337c2f3-14
0.271
MAK-UNK-acefcb18-16
0.268
GIA-UNK-c4371e97-3
0.268
DRA-CSI-47e38074-12
0.268
JON-UIO-066ce08b-1
0.268
DRA-CSI-47e38074-3
0.268
PAU-WEI-b9b69149-7
0.267
ANT-OPE-7824651a-2
0.267
JON-UNI-bb9dc649-11
0.267
MAK-UNK-acefcb18-17
0.267
AHN-SAT-de2502ba-1
0.266
MAK-UNK-212f693e-16
0.265
MAK-UNK-902cc841-16
0.262
NJA-MAN-b9fb953f-8
0.262
EDJ-MED-3c65e9ce-3
0.262
MIH-UNI-6b9ca91a-2
0.261
MAK-UNK-1cb0e944-9
0.261
MAK-UNK-6435e6c2-1
0.261
MAK-UNK-6435e6c2-6
0.261
MED-COV-4280ac29-6
0.260
BEN-DND-6de5dfa0-10
0.260
JON-UNI-bb9dc649-6
0.260
MAR-TRE-fffca54f-75
0.260
DRA-CSI-47e38074-10
0.260
MAK-UNK-902cc841-9
0.258
GIA-UNK-595fac82-5
0.257
PAT-UNK-b2d83456-1
0.257
MAR-TRE-0fda4e82-25
0.257
MAK-UNK-5e88aa6a-6
0.256
MAK-UNK-1cb0e944-1
0.256