Molecular Properties | |
SMILES: | O=C(CN1CCOCC1)NCCc1c[nH]c2ccc(F)cc12 |
MW: | 305.15 |
Fraction sp3: | 0.44 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 57.36 |
cLogP: | 1.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1551812409 |
Enamine Extended REAL: | s_22____9631354____7941832 |
AAR-POS-d2a4d1df-2
MAK-UNK-be5ffcbc-1
0.789
MAK-UNK-be5ffcbc-8
0.625
NAU-LAT-81109c57-8
0.600
AAR-POS-d2a4d1df-2
0.583
MAK-UNK-10572812-8
0.561
NAU-LAT-81109c57-1
0.532
NAU-LAT-81109c57-4
0.523
MAK-UNK-be5ffcbc-3
0.517
NAU-LAT-81109c57-2
0.506
FRA-LAB-04e32718-1
0.489
SAN-PRS-3c4a6997-4
0.443
MAK-UNK-10572812-17
0.438
MAK-UNK-37f1d6fa-2
0.438
ABI-SAT-30e287c1-2
0.436
MAK-UNK-10572812-9
0.433
MAK-UNK-10572812-16
0.430
MAK-UNK-10572812-14
0.426
MAK-UNK-be5ffcbc-4
0.422
MAK-UNK-10572812-15
0.421
MAK-UNK-37f1d6fa-3
0.420
MAK-UNK-10572812-3
0.418
MAK-UNK-37f1d6fa-7
0.412
MAK-UNK-37f1d6fa-6
0.404
MAK-UNK-37f1d6fa-4
0.404
DAR-DIA-eace69ff-36
0.400
MAK-UNK-37f1d6fa-1
0.396
JOH-MSK-a63bdd1d-4
0.395
MAR-UCB-195bc32d-16
0.395
MAK-UNK-10572812-7
0.395
MAK-UNK-10572812-6
0.395
ORN-MSD-5b974918-1
0.388
MAK-UNK-176ca439-5
0.385
MAK-UNK-72b7ba6b-1
0.385
SAN-PRS-3c4a6997-1
0.373
MAR-TRE-fd17a9b8-41
0.373
MAR-TRE-85681e92-60
0.370
MAR-UCB-195bc32d-21
0.365
ALE-ACE-2610ee4d-1
0.365
JOH-MSK-35a8745a-1
0.365
MAK-UNK-10dfa458-15
0.364
MAR-TRE-92684b97-67
0.363
JOH-MEM-4bb7e4cc-1
0.360
MAT-GIT-deadff56-1
0.360
DUN-NEW-f8ce3686-12
0.360
MAR-TRE-fd17a9b8-1
0.356
MAR-TRE-4f39ef4a-26
0.354
MAR-TRE-3724962b-29
0.352
JOH-MSK-a63bdd1d-5
0.344
MAK-UNK-be5ffcbc-2
0.337
MAR-TRE-fd17a9b8-10
0.333
JOH-MSK-a63bdd1d-6
0.333
MAK-UNK-be5ffcbc-9
0.333
MAR-TRE-7f7bb9f0-71
0.333
MAR-TRE-be9ff7d2-73
0.333
MAK-UNK-be5ffcbc-5
0.330
SAM-UNK-903735bd-1
0.330
MAR-TRE-c317dd82-56
0.330
MAR-TRE-7f7bb9f0-83
0.317
MAK-UNK-176ca439-7
0.315
MAK-UNK-be5ffcbc-6
0.312
SAN-PRS-3c4a6997-5
0.310
SAN-PRS-3c4a6997-2
0.310
MAR-TRE-67513f76-15
0.309
AGN-NEW-051944a9-4
0.306
MAK-UNK-10572812-2
0.305
JAR-IMP-ed466bb3-19
0.304
AGN-NEW-051944a9-2
0.304
JOK-SYG-302da050-1
0.304
NAU-LAT-f723e322-1
0.304
DAR-DIA-fb20be43-11
0.304
NAU-LAT-81109c57-6
0.304
STU-CHA-bc0a9883-1
0.304
AAR-UNI-c25c2f1e-34
0.302
MAR-TRE-fd17a9b8-18
0.302
MAT-POS-b5746674-64
0.301
NAU-LAT-f723e322-2
0.301
NIR-THE-0d6461ce-2
0.298
JUL-TUD-06b2044f-153
0.297
NAU-LAT-81109c57-5
0.297
MAR-TRE-e82e6c98-51
0.296
MAR-TRE-4f781e27-82
0.296
BEN-DND-93268d01-10
0.295
NIR-THE-0d6461ce-3
0.295
MAR-TRE-85681e92-10
0.295
GAB-REV-4a4e2ff3-8
0.294
NAU-LAT-81109c57-3
0.294
AAR-UNI-c25c2f1e-72
0.292
GAB-REV-4a4e2ff3-3
0.292
SAN-PRS-3c4a6997-3
0.292
MAK-UNK-10572812-1
0.292
MAK-UNK-10572812-10
0.292
MAR-UCB-195bc32d-4
0.291
GAB-REV-4a4e2ff3-19
0.290
ANT-OPE-b90194ad-1
0.289
MAR-UNI-9ca61fdc-1
0.289
JOK-SYG-b7365cd7-1
0.289
GAB-REV-4a4e2ff3-6
0.287
TOM-OIS-cbf37265-2
0.286
JOH-MSK-a63bdd1d-1
0.286
ANT-OPE-47f3bb65-1
0.286