Molecular Properties | |
SMILES: | Cc1cccc(C(N2CCC(O)CC2)N2CCN(C(=O)CCl)CC2)c1 |
MW: | 365.905 |
Fraction sp3: | 0.63 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 47.02 |
cLogP: | 1.83332 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
non_ring_acetal
Methylendiamines (1)
acyclic N-C-N
SEL-UNI-cd366922-5
0.646
MIH-UNI-e573136b-6
0.635
GIA-UNK-7337c2f3-8
0.528
MED-COV-4280ac29-23
0.521
MED-COV-4280ac29-7
0.514
WAL-WAB-df110a02-2
0.487
WIL-LEE-23e8b574-5
0.486
SIM-SYN-f15aaa3a-2
0.481
SEL-UNI-cd366922-9
0.474
SAD-SAT-5b1897b2-4
0.449
AAR-POS-d2a4d1df-24
0.437
NIR-THE-0d6461ce-1
0.427
GIA-UNK-7337c2f3-7
0.427
SIM-SYN-f15aaa3a-1
0.426
MED-COV-4280ac29-6
0.417
MAK-UNK-af83ef51-6
0.413
DAR-DIA-3e9bbd81-15
0.393
GIA-UNK-4de5abb1-1
0.385
GIA-UNK-20b63697-6
0.385
MAK-UNK-e4a48a85-13
0.382
STU-CHA-07310c75-1
0.381
DAR-DIA-3e9bbd81-12
0.380
GIA-UNK-7337c2f3-2
0.380
MAR-TRE-6a44bbf2-92
0.378
GIA-UNK-7337c2f3-1
0.377
SEA-TRI-2c7f3de8-1
0.376
DAR-DIA-3e9bbd81-16
0.376
GIA-UNK-7337c2f3-5
0.375
GIA-UNK-7337c2f3-9
0.375
GIA-UNK-7337c2f3-12
0.375
MED-COV-4280ac29-18
0.375
GIA-UNK-7337c2f3-13
0.373
GIA-UNK-7337c2f3-4
0.372
GIA-UNK-20b63697-3
0.370
GIA-UNK-20b63697-5
0.370
GIA-UNK-20b63697-4
0.370
MAK-UNK-e4a48a85-12
0.368
NIR-THE-0d6461ce-12
0.368
MAK-UNK-e4a48a85-26
0.368
GIA-UNK-7337c2f3-10
0.367
NIR-THE-0d6461ce-11
0.365
MED-COV-4280ac29-4
0.365
PAU-WEI-b9b69149-3
0.364
MAK-UNK-af83ef51-2
0.364
GIA-UNK-7337c2f3-11
0.361
GIA-UNK-4de5abb1-4
0.361
GIA-UNK-4de5abb1-2
0.360
DAR-DIA-3e9bbd81-11
0.357
SAD-SAT-c989feaa-8
0.356
STU-CHA-0be58c98-1
0.356
SAD-SAT-65574d3f-9
0.356
GIA-UNK-20b63697-7
0.355
SAD-SAT-29425be4-18
0.354
GIA-UNK-20b63697-2
0.354
SAD-SAT-29425be4-20
0.353
SEA-TRI-8222e606-1
0.353
GIA-UNK-7337c2f3-15
0.353
NEH-REV-107bcf72-2
0.352
NIR-THE-0d6461ce-10
0.352
MAK-UNK-e4a48a85-14
0.351
GIA-UNK-7337c2f3-3
0.350
GIA-UNK-7337c2f3-6
0.350
GIA-UNK-20b63697-8
0.349
PAU-WEI-3e86dfd8-2
0.349
MAT-POS-162a9720-2
0.346
NIL-NON-a189c016-1
0.346
SEL-UNI-cd366922-2
0.346
GIA-UNK-4de5abb1-5
0.345
MAK-UNK-e4a48a85-7
0.344
GIA-UNK-20b63697-1
0.342
GIA-UNK-4de5abb1-3
0.341
MAK-UNK-ec98eaf6-9
0.341
PAU-WEI-b9b69149-6
0.340
VIK-SYN-9a3d118a-1
0.338
SAD-SAT-29425be4-25
0.337
GIA-UNK-a79af1bc-1
0.333
MAK-UNK-52a1ef4b-1
0.333
MAK-UNK-6ca90168-11
0.333
MAR-TRE-6a44bbf2-77
0.333
GIA-UNK-20b63697-9
0.333
MAK-UNK-e4a48a85-18
0.333
MAK-UNK-e4a48a85-11
0.333
MAK-UNK-ec98eaf6-1
0.330
PAU-WEI-b9b69149-1
0.330
AAR-POS-d2a4d1df-35
0.329
HYO-UNK-49a60884-1
0.329
MED-COV-4280ac29-15
0.329
JOH-UNI-0e1753c1-3
0.329
AAR-POS-d2a4d1df-25
0.329
AHN-SAT-de2502ba-8
0.329
MAK-UNK-10dfa458-38
0.326
GIA-UNK-7337c2f3-14
0.326
RHE-UNK-eb059eb9-1
0.325
AAR-POS-0daf6b7e-3
0.325
MAR-TRE-6a44bbf2-13
0.325
WAR-XCH-79d12f6e-6
0.325
AAR-POS-d2a4d1df-36
0.325
JOK-SYG-18591e8f-1
0.325
MAK-UNK-6ca90168-4
0.325
MAK-UNK-e4a48a85-19
0.324