Molecular Properties | |
SMILES: | O=C(Cn1cccn1)N1CCO[C@@H](CNCc2cccc(F)c2)C1 |
MW: | 332.16 |
Fraction sp3: | 0.41 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 59.39 |
cLogP: | 1.04 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-8
IND-SYN-6c8299e8-12
0.500
AAR-POS-0daf6b7e-38
0.451
SAD-SAT-1b030f84-10
0.435
IND-SYN-6c8299e8-7
0.409
MAR-TRE-dab8f6ea-49
0.327
MAR-TRE-04c86cea-72
0.321
SWA-SYN-d2e6fa14-3
0.320
SWA-SYN-6423ea73-3
0.320
MAR-TRE-f6f5f473-45
0.316
MAK-UNK-942dcb71-4
0.306
MAK-UNK-942dcb71-3
0.306
NIM-UNI-310206f0-17
0.304
MAR-TRE-6a44bbf2-39
0.301
AAR-POS-d2a4d1df-33
0.301
MAK-UNK-752736de-2
0.296
NIM-UNI-310206f0-54
0.296
AAR-POS-0daf6b7e-36
0.295
MAR-TRE-4b834d9a-25
0.294
DRR-IMP-38dce17f-2
0.293
MAR-TRE-3159af1a-21
0.293
MAR-TRE-dab8f6ea-48
0.290
MAR-TRE-dab8f6ea-32
0.289
ALP-POS-95b75b4d-1
0.289
MAR-TRE-4b834d9a-2
0.284
MAR-TRE-dab8f6ea-43
0.282
MAR-TRE-4b834d9a-69
0.281
MAR-TRE-04c86cea-60
0.281
MAR-TRE-dab8f6ea-9
0.278
RAF-UNK-26121f85-7
0.278
MAR-TRE-dab8f6ea-15
0.278
MAR-TRE-799db12b-76
0.278
MAR-TRE-d0525fbf-8
0.277
MAR-TRE-4b834d9a-20
0.277
MAR-TRE-4b834d9a-75
0.276
MAR-TRE-4b834d9a-21
0.276
RAF-UNK-26121f85-4
0.276
WIL-UNI-1faa9b10-23
0.276
SAD-SAT-c989feaa-1
0.274
MAR-TRE-f6f5f473-22
0.274
MAR-TRE-3159af1a-53
0.271
VIT-UNK-2a0afa28-3
0.270
RAF-UNK-26121f85-9
0.270
MAR-TRE-dab8f6ea-23
0.269
MAR-TRE-3159af1a-90
0.266
AHN-SAT-02ef6d10-10
0.266
ALP-POS-ced8ea4d-54
0.264
ALP-POS-ced8ea4d-6
0.263
ALP-POS-ced8ea4d-16
0.260
ALP-POS-d0876c20-12
0.260
BRU-THA-92256091-73
0.259
NIM-UNI-310206f0-66
0.256
ALP-POS-ced8ea4d-43
0.256
SUG-SAT-4be79373-3
0.255
BOG-INS-8ebd826b-1
0.254
BEN-DND-93268d01-6
0.252
BAR-COM-0f94fc3d-33
0.252
VIT-UNK-2a0afa28-1
0.252
MAR-TRE-799db12b-18
0.252
ALP-POS-e980f4ea-6
0.252
ALP-POS-e980f4ea-43
0.252
ALP-POS-e980f4ea-16
0.252
JON-MCD-47e58de1-1
0.250
MAR-TRE-f5c2d31c-20
0.250
TAM-UNI-d1c3dd9f-12
0.250
SWA-SYN-d2e6fa14-8
0.250
ALF-EVA-719172df-3
0.250
SWA-SYN-6423ea73-8
0.250
ALP-POS-ced8ea4d-31
0.248
ALP-POS-ced8ea4d-59
0.248
ALP-POS-d0876c20-1
0.248
AHN-SAT-02ef6d10-8
0.248
MAR-TRE-dab8f6ea-34
0.248
MAR-TRE-dab8f6ea-21
0.248
BEN-DND-76ad4ac9-3
0.248
ALP-POS-ced8ea4d-66
0.246
ALP-POS-ced8ea4d-7
0.246
MAR-TRE-3e4e6814-91
0.246
MAR-TRE-3159af1a-82
0.246
VIT-UNK-cff011c0-1
0.246
MAR-TRE-6a44bbf2-3
0.245
ALP-POS-ced8ea4d-53
0.244
ALP-POS-ced8ea4d-62
0.244
FAR-UNI-736b943a-1
0.243
VIT-UNK-cff011c0-2
0.243
ALP-POS-e980f4ea-31
0.243
ALP-POS-ced8ea4d-58
0.242
ALP-POS-ced8ea4d-14
0.242
ALP-POS-ced8ea4d-28
0.242
BEN-VAN-77cef4f8-7
0.242
BOG-INS-d6bb07dc-1
0.242
AAR-UNI-c25c2f1e-19
0.241
KHR-WEI-75c61062-1
0.241
ALP-POS-ced8ea4d-26
0.241
ALP-POS-d0876c20-6
0.241
ALP-POS-ced8ea4d-47
0.241
ALP-POS-ced8ea4d-45
0.241
IND-SYN-6c8299e8-1
0.240
RAL-THA-2d450e86-10
0.240
SAD-SAT-bc31ec01-6
0.240
BEN-VAN-77cef4f8-10
0.240