Molecular Properties | |
SMILES: | O=C(NCCc1c[nH]c2ccc(F)cc12)NCC1CCCCC1 |
MW: | 317.408 |
Fraction sp3: | 0.5 |
HBA: | 1 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 56.92 |
cLogP: | 3.729 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1221750007 |
Enamine Extended REAL: | s_2708____905622____9631384 |
Long aliphatic chain
AAR-POS-d2a4d1df-2
0.575
MAK-UNK-be5ffcbc-8
0.573
NAU-LAT-81109c57-2
0.554
NAU-LAT-81109c57-4
0.535
NAU-LAT-81109c57-8
0.532
NAU-LAT-81109c57-1
0.525
MAK-UNK-be5ffcbc-1
0.506
MAK-UNK-be5ffcbc-3
0.494
MAK-UNK-be5ffcbc-7
0.489
SAN-PRS-3c4a6997-4
0.456
MAK-UNK-37f1d6fa-2
0.448
MAK-UNK-37f1d6fa-3
0.430
MAK-UNK-37f1d6fa-4
0.427
MAK-UNK-37f1d6fa-7
0.422
MAK-UNK-37f1d6fa-6
0.413
ABI-SAT-30e287c1-2
0.412
MAK-UNK-37f1d6fa-1
0.406
MAK-UNK-10572812-9
0.402
MAK-UNK-10572812-17
0.394
MAK-UNK-10572812-6
0.391
MAK-UNK-10572812-15
0.391
MAK-UNK-10572812-3
0.389
MAK-UNK-10572812-8
0.387
MAK-UNK-10572812-16
0.387
MAK-UNK-10572812-14
0.384
MAK-UNK-10572812-7
0.379
DAR-DIA-eace69ff-36
0.377
JOH-MSK-35a8745a-1
0.376
MAR-UCB-195bc32d-21
0.376
ALE-ACE-2610ee4d-1
0.376
MAR-UCB-195bc32d-16
0.373
JOH-MSK-a63bdd1d-4
0.373
JOH-MEM-4bb7e4cc-1
0.372
DUN-NEW-f8ce3686-12
0.372
MAT-GIT-deadff56-1
0.372
SAN-PRS-3c4a6997-1
0.369
MAR-TRE-85681e92-60
0.366
JOH-MSK-a63bdd1d-5
0.356
MAR-TRE-92684b97-67
0.344
JOH-MSK-a63bdd1d-6
0.343
MAR-TRE-4f39ef4a-26
0.337
MAK-UNK-72b7ba6b-1
0.330
MAK-UNK-176ca439-5
0.330
MAR-TRE-be9ff7d2-73
0.330
MAR-TRE-3724962b-29
0.324
AAR-UNI-c25c2f1e-73
0.323
MAR-TRE-fd17a9b8-35
0.320
MAR-TRE-7f7bb9f0-83
0.314
AAR-UNI-c25c2f1e-72
0.314
MAR-TRE-c317dd82-56
0.313
MAK-UNK-10dfa458-15
0.312
MAR-TRE-b77b7921-59
0.308
SAN-PRS-3c4a6997-2
0.306
MAK-UNK-10572812-4
0.303
MAK-UNK-be5ffcbc-9
0.300
SAM-UNK-903735bd-1
0.300
MAR-UNI-9ca61fdc-1
0.300
JOH-MSK-a63bdd1d-1
0.297
MAK-UNK-be5ffcbc-6
0.296
NAU-LAT-81109c57-5
0.294
MAR-TRE-fd17a9b8-41
0.294
MAR-TRE-e82e6c98-51
0.293
GAB-REV-4a4e2ff3-3
0.290
MAK-UNK-176ca439-7
0.289
MAK-UNK-be5ffcbc-5
0.288
GAB-REV-4a4e2ff3-6
0.284
NIR-THE-0d6461ce-2
0.283
AAR-UNI-c25c2f1e-26
0.282
MAK-UNK-10572812-2
0.281
NIR-THE-0d6461ce-3
0.280
MAR-TRE-4f781e27-82
0.280
MAR-TRE-92684b97-83
0.280
MAR-TRE-fd17a9b8-1
0.279
NAU-LAT-81109c57-3
0.279
GAB-REV-4a4e2ff3-8
0.279
JOH-MSK-a63bdd1d-2
0.278
WIL-LEE-364b6ea8-13
0.278
SAN-PRS-3c4a6997-5
0.278
SAN-PRS-52b81272-1
0.276
WAR-XCH-e55cba98-5
0.276
DAR-DIA-03336633-5
0.274
JOK-SYG-b7365cd7-1
0.273
PET-SGC-c429dc17-1
0.273
CES-WAB-18e74d70-1
0.273
GAB-REV-4a4e2ff3-16
0.272
GAB-REV-4a4e2ff3-18
0.270
JAR-IMP-ed466bb3-19
0.269
MAR-TRE-fd17a9b8-25
0.269
ORN-MSD-5b974918-1
0.269
ASH-UNK-40b46b30-7
0.269
MAK-UNK-10572812-10
0.268
WIL-LEE-1f71e281-6
0.268
MAK-UNK-ec98eaf6-34
0.268
GAB-REV-4a4e2ff3-14
0.267
MAK-UNK-be5ffcbc-2
0.267
ELE-IMP-dfb36048-1
0.265
TAM-UNI-c140e31a-15
0.265
SAM-UNK-903735bd-2
0.265
PET-SGC-f818f65b-1
0.265
SIM-DEM-265738e1-1
0.265