Molecular Properties | |
SMILES: | O=C(CN1CCN(c2ncccn2)CC1)N1CCOC(c2ccc(F)cc2)C1 |
MW: | 385.19 |
Fraction sp3: | 0.45 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 61.8 |
cLogP: | 1.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z641710382 |
Mcule: | MCULE-5198807007 |
MolPort: | MolPort-027-864-970 |
MAR-TRE-dab8f6ea-15
0.787
IND-SYN-6c8299e8-12
0.641
AAR-POS-d2a4d1df-33
0.560
MAR-TRE-6a44bbf2-39
0.560
MAR-TRE-dab8f6ea-44
0.389
JOK-SYG-8934678c-1
0.382
MAR-TRE-6a44bbf2-87
0.354
VIK-SYN-bf9c9ac8-7
0.354
VIK-SYN-9a3d118a-4
0.354
SAD-SAT-f25ee457-1
0.327
MAR-TRE-dab8f6ea-28
0.324
AAR-POS-0daf6b7e-38
0.322
MAR-TRE-dab8f6ea-30
0.319
SAD-SAT-1b030f84-10
0.311
SAD-SAT-1f400d17-3
0.305
RED-RED-10c9212c-41
0.301
MAR-TRE-7f7bb9f0-65
0.301
MAK-UNK-3f402c2b-10
0.297
MAT-POS-b5746674-15
0.292
MAR-TRE-799db12b-17
0.286
BOG-INS-d6bb07dc-1
0.283
FOC-CAS-e3a94da8-2
0.283
MAR-TRE-dab8f6ea-36
0.277
BEN-VAN-77cef4f8-4
0.276
MAR-TRE-3159af1a-90
0.276
BOG-INS-da52c1c2-1
0.276
BEN-VAN-77cef4f8-1
0.275
BEN-VAN-77cef4f8-5
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FOC-CAS-e3a94da8-1
0.274
MAR-TRE-3e4e6814-20
0.274
BEN-VAN-77cef4f8-2
0.273
BOG-INS-177e97e6-1
0.266
MAR-TRE-dab8f6ea-10
0.264
BOG-INS-8ebd826b-1
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SAD-SAT-f0a2747f-10
0.258
NIM-UNI-310206f0-20
0.255
SAD-SAT-2ceae68f-10
0.252
MAR-TRE-7f7bb9f0-71
0.252
SAD-SAT-f25ee457-5
0.250
NIM-UNI-310206f0-5
0.250
BOG-INS-16021dc0-1
0.248
MAR-TRE-dab8f6ea-17
0.248
BEN-VAN-77cef4f8-12
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BEN-VAN-77cef4f8-9
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IND-SYN-6c8299e8-7
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MAR-TRE-67513f76-15
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MAR-TRE-6a44bbf2-47
0.242
NIM-UNI-43fe0159-3
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MAT-POS-162a9720-4
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NIM-UNI-310206f0-24
0.241
MAR-TRE-3e4e6814-75
0.241
BEN-VAN-77cef4f8-7
0.240
NIM-UNI-310206f0-15
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BEN-VAN-77cef4f8-10
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BEN-VAN-77cef4f8-6
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MAR-TRE-f5c2d31c-38
0.234
NIM-UNI-310206f0-11
0.234
NIM-UNI-310206f0-23
0.234
SAD-SAT-5b1897b2-3
0.233
NIM-UNI-310206f0-18
0.232
BEN-VAN-77cef4f8-3
0.232
MAR-TRE-67513f76-62
0.231
MAR-TRE-b77b7921-59
0.230
MAR-TRE-d0525fbf-32
0.230
MAR-TRE-dab8f6ea-22
0.230
NIM-UNI-310206f0-32
0.229
LON-WEI-120e5cf5-8
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NIM-UNI-310206f0-46
0.228
NIM-UNI-310206f0-43
0.228
NIM-UNI-310206f0-49
0.228
SAL-INS-1c7a5a55-12
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SAL-INS-1c7a5a55-11
0.226
ROD-UFR-7c6582a7-1
0.226
MAR-TRE-04c86cea-63
0.226
NIM-UNI-310206f0-41
0.226
BEN-DND-03406596-8
0.224
MAR-TRE-dab8f6ea-47
0.224
MAR-TRE-d0525fbf-88
0.224
NIM-UNI-310206f0-27
0.224
ANT-OPE-d972fbad-1
0.222
NIM-UNI-310206f0-1
0.222
MAR-TRE-74c6519b-86
0.222
NIM-UNI-310206f0-12
0.222
NIM-UNI-310206f0-28
0.222
MAR-TRE-9c797165-100
0.221
MAR-TRE-dab8f6ea-20
0.221
ISA-SCH-8e98219b-2
0.221
NIM-UNI-310206f0-16
0.220
NIM-UNI-310206f0-19
0.220
BEN-VAN-77cef4f8-8
0.220
NIM-UNI-310206f0-22
0.219
NIM-UNI-310206f0-44
0.219
NIM-UNI-310206f0-14
0.219
MAR-TRE-04c86cea-29
0.219
RED-RED-10c9212c-2
0.219
MAK-UNK-1cb0e944-8
0.219
BEN-VAN-77cef4f8-11
0.219
AHN-SAT-de2502ba-15
0.219
MAR-TRE-d0525fbf-66
0.218
MAR-TRE-d0525fbf-60
0.218