Molecular Properties | |
SMILES: | O=C(NCCc1c[nH]c2ccc(F)cc12)[C@@H]1CCCN1 |
MW: | 275.327 |
Fraction sp3: | 0.4 |
HBA: | 2 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 56.92 |
cLogP: | 1.7177 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z2448984176 |
Enamine Extended REAL: | s_240690____17029356____3025726 |
AAR-POS-d2a4d1df-2
NAU-LAT-81109c57-4
0.613
AAR-POS-d2a4d1df-2
0.600
MAK-UNK-be5ffcbc-8
0.575
NAU-LAT-81109c57-8
0.573
FRA-LAB-04e32718-1
0.554
NAU-LAT-81109c57-1
0.545
MAK-UNK-be5ffcbc-1
0.543
MAK-UNK-be5ffcbc-3
0.512
MAK-UNK-be5ffcbc-7
0.506
MAK-UNK-37f1d6fa-2
0.462
SAN-PRS-3c4a6997-4
0.455
MAK-UNK-10572812-9
0.441
MAK-UNK-10572812-7
0.440
MAK-UNK-37f1d6fa-7
0.434
MAK-UNK-37f1d6fa-3
0.429
ABI-SAT-30e287c1-2
0.429
MAK-UNK-10572812-6
0.427
MAK-UNK-37f1d6fa-6
0.426
MAK-UNK-10572812-17
0.419
MAK-UNK-37f1d6fa-1
0.417
JAN-GHE-6413aaf8-6
0.416
MAK-UNK-10572812-15
0.415
MAK-UNK-37f1d6fa-4
0.412
MAK-UNK-10572812-8
0.411
MAK-UNK-10572812-16
0.411
MAK-UNK-10572812-14
0.407
JOH-MSK-a63bdd1d-4
0.405
MAR-UCB-195bc32d-16
0.405
DAR-DIA-eace69ff-36
0.392
MAK-UNK-10572812-3
0.387
JOH-MEM-4bb7e4cc-1
0.386
MAT-GIT-deadff56-1
0.386
DUN-NEW-f8ce3686-12
0.386
SAN-PRS-3c4a6997-1
0.383
ALE-ACE-2610ee4d-1
0.373
MAR-UCB-195bc32d-21
0.373
JOH-MSK-35a8745a-1
0.373
MAR-TRE-85681e92-60
0.363
MAR-TRE-92684b97-67
0.356
JOH-MSK-a63bdd1d-6
0.354
JOH-MSK-a63bdd1d-5
0.352
MAR-TRE-4f39ef4a-26
0.333
MAK-UNK-72b7ba6b-1
0.327
MAK-UNK-176ca439-5
0.327
MAR-TRE-be9ff7d2-73
0.326
MAR-TRE-c317dd82-56
0.323
MAK-UNK-10dfa458-15
0.321
SAN-PRS-3c4a6997-2
0.317
MAR-TRE-7f7bb9f0-83
0.311
MAK-UNK-be5ffcbc-9
0.310
JAR-IMP-ed466bb3-19
0.310
SAM-UNK-903735bd-1
0.309
MAR-TRE-3724962b-29
0.308
MAR-TRE-3e4e6814-62
0.308
MAR-TRE-e82e6c98-51
0.302
MAR-TRE-4f781e27-82
0.302
MAK-UNK-10572812-2
0.299
MAK-UNK-10572812-4
0.299
MAR-TRE-67513f76-96
0.299
MAK-UNK-be5ffcbc-5
0.297
MAR-UNI-9ca61fdc-1
0.295
WAR-XCH-e55cba98-5
0.295
JOH-MSK-a63bdd1d-1
0.292
MAK-UNK-be5ffcbc-6
0.292
MAR-TRE-fd17a9b8-41
0.290
ABI-SAT-30e287c1-1
0.289
GAB-REV-4a4e2ff3-14
0.289
MAK-UNK-be5ffcbc-2
0.289
NIR-THE-0d6461ce-3
0.288
ORN-MSD-5b974918-1
0.288
SAN-PRS-3c4a6997-5
0.287
SIM-DEM-265738e1-1
0.287
SAM-UNK-903735bd-2
0.287
PET-SGC-f818f65b-1
0.287
TAM-UNI-c140e31a-15
0.287
ELE-IMP-dfb36048-1
0.287
JOH-MSK-a63bdd1d-2
0.287
WIL-LEE-364b6ea8-13
0.287
GAB-REV-4a4e2ff3-8
0.287
NAU-LAT-81109c57-3
0.287
MAR-TRE-fd17a9b8-1
0.287
MAR-TRE-04c86cea-51
0.284
NAU-LAT-81109c57-6
0.284
ASH-UNK-40b46b30-5
0.283
JOK-SYG-b7365cd7-1
0.281
MAR-TRE-e86a56b5-19
0.281
GAB-REV-4a4e2ff3-6
0.280
NIR-THE-0d6461ce-2
0.279
MAR-TRE-e86a56b5-36
0.278
AAR-UNI-c25c2f1e-26
0.278
NAU-LAT-81109c57-5
0.277
MAR-UCB-195bc32d-19
0.277
JOH-MSK-a63bdd1d-9
0.277
WIL-LEE-1f71e281-6
0.277
MAR-TRE-fd17a9b8-35
0.276
MAK-UNK-10572812-1
0.275
MAK-UNK-176ca439-7
0.274
MAR-TRE-85681e92-10
0.274
GAB-REV-4a4e2ff3-3
0.274
SCO-VAN-260d9628-5
0.273