Molecular Properties | |
SMILES: | O=C(CN1CCNCC1)NCCc1c[nH]c2ccc(F)cc12 |
MW: | 304.17 |
Fraction sp3: | 0.44 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 60.16 |
cLogP: | 0.87 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z2825001570 |
Enamine Extended REAL: | s_240690____17029356____12546662 |
AAR-POS-d2a4d1df-2
MAK-UNK-be5ffcbc-7
0.789
MAK-UNK-be5ffcbc-8
0.652
NAU-LAT-81109c57-8
0.625
AAR-POS-d2a4d1df-2
0.609
MAK-UNK-10572812-8
0.579
NAU-LAT-81109c57-1
0.553
NAU-LAT-81109c57-2
0.543
NAU-LAT-81109c57-4
0.542
FRA-LAB-04e32718-1
0.506
MAK-UNK-be5ffcbc-3
0.500
SAN-PRS-3c4a6997-4
0.461
ABI-SAT-30e287c1-2
0.453
MAK-UNK-37f1d6fa-2
0.452
MAK-UNK-10572812-9
0.446
MAK-UNK-10572812-16
0.442
MAK-UNK-10572812-14
0.438
MAK-UNK-10572812-17
0.437
MAK-UNK-37f1d6fa-3
0.433
MAK-UNK-10572812-15
0.433
MAK-UNK-37f1d6fa-4
0.430
MAK-UNK-10572812-3
0.430
MAK-UNK-37f1d6fa-7
0.424
MAK-UNK-37f1d6fa-6
0.416
MAK-UNK-be5ffcbc-2
0.409
MAK-UNK-37f1d6fa-1
0.408
JOH-MEM-4bb7e4cc-1
0.407
MAT-GIT-deadff56-1
0.407
DUN-NEW-f8ce3686-12
0.407
MAK-UNK-10572812-6
0.405
MAK-UNK-10572812-7
0.405
DAR-DIA-eace69ff-36
0.397
JOH-MSK-a63bdd1d-4
0.392
MAR-UCB-195bc32d-16
0.392
SAN-PRS-3c4a6997-1
0.388
MAR-TRE-fd17a9b8-41
0.384
MAK-UNK-176ca439-5
0.382
MAK-UNK-72b7ba6b-1
0.382
MAK-UNK-be5ffcbc-6
0.382
MAR-TRE-85681e92-60
0.382
MAR-UCB-195bc32d-21
0.378
JOH-MSK-35a8745a-1
0.378
ALE-ACE-2610ee4d-1
0.378
MAR-TRE-92684b97-67
0.375
WIL-LEE-23e8b574-6
0.373
JOH-MSK-a63bdd1d-5
0.372
MAR-TRE-fd17a9b8-1
0.366
MAR-TRE-4f39ef4a-26
0.366
MAR-TRE-3724962b-29
0.363
MAK-UNK-10dfa458-15
0.362
MAK-UNK-be5ffcbc-9
0.345
MAR-TRE-be9ff7d2-73
0.344
MAR-TRE-fd17a9b8-10
0.344
MAR-TRE-c317dd82-56
0.340
JOH-MSK-a63bdd1d-6
0.330
MAR-TRE-7f7bb9f0-83
0.327
SAM-UNK-903735bd-1
0.326
AGN-NEW-051944a9-3
0.321
SAN-PRS-3c4a6997-2
0.321
AGN-NEW-051944a9-1
0.319
MAK-UNK-be5ffcbc-4
0.316
NAU-LAT-81109c57-6
0.313
MAK-UNK-10572812-2
0.313
JAR-IMP-ed466bb3-19
0.312
MAK-UNK-176ca439-7
0.312
MAR-TRE-fd17a9b8-18
0.311
NIR-THE-0d6461ce-2
0.307
SAN-PRS-3c4a6997-5
0.306
GAB-REV-4a4e2ff3-14
0.305
MAR-TRE-4f781e27-82
0.305
MAR-TRE-e82e6c98-51
0.305
ORN-MSD-5b974918-1
0.304
NIR-THE-0d6461ce-3
0.304
NAU-LAT-81109c57-3
0.303
GAB-REV-4a4e2ff3-3
0.301
NAU-LAT-f723e322-1
0.300
JOK-SYG-302da050-1
0.300
STU-CHA-bc0a9883-1
0.300
MAK-UNK-be5ffcbc-5
0.300
DAR-DIA-fb20be43-11
0.300
MAK-UNK-10572812-1
0.299
ASH-UNK-40b46b30-5
0.299
MAR-UNI-9ca61fdc-1
0.299
JOK-SYG-b7365cd7-1
0.298
NAU-LAT-f723e322-2
0.297
GAB-REV-4a4e2ff3-6
0.296
JOH-MSK-a63bdd1d-1
0.295
MAT-POS-2db6411e-1
0.295
WIL-LEE-1f71e281-6
0.293
NAU-LAT-81109c57-5
0.293
AGN-NEW-051944a9-4
0.293
MAR-TRE-fd17a9b8-35
0.292
SCO-VAN-260d9628-5
0.291
MAK-UNK-10572812-4
0.291
AGN-NEW-051944a9-2
0.290
PET-SGC-f818f65b-1
0.290
TAM-UNI-c140e31a-15
0.290
ELE-IMP-dfb36048-1
0.290
SAM-UNK-903735bd-2
0.290
JOH-MSK-a63bdd1d-2
0.290
WIL-LEE-364b6ea8-13
0.290