Molecular Properties | |
SMILES: | O=C(NCCN1CCN(c2ccc(C(F)(F)F)cc2)CC1)NCc1ccccn1 |
MW: | 407.44 |
Fraction sp3: | 0.4 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 60.5 |
cLogP: | 2.7218 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-11
TRI-UNI-97428359-2
0.750
TRI-UNI-97428359-1
0.743
LAV-MCD-880a620a-1
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JUL-TUD-06b2044f-155
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DRR-IMP-38dce17f-5
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LON-WEI-5e7d1b3e-49
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LON-WEI-4d77710c-49
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AAR-UNI-c25c2f1e-54
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AAR-UNI-c25c2f1e-98
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STE-KUL-2e0d2e88-1
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DAN-MCD-52f1549c-1
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DAN-MCD-8aee1169-1
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CAT-CEN-91a3f3b0-1
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SAD-SAT-5b1897b2-3
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MAR-TRE-d0525fbf-96
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MAR-TRE-3159af1a-20
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NIL-NON-a189c016-1
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MAT-POS-162a9720-2
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STE-KUL-2e0d2e88-3
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ANT-DIA-045cfdc4-4
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MAR-TRE-fd17a9b8-31
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AAR-POS-0daf6b7e-18
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ALP-POS-a3de0cb1-11
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GIA-UNK-7337c2f3-12
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STE-KUL-2e0d2e88-2
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NIM-UNI-310206f0-12
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MAR-TRE-fd17a9b8-70
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MAT-POS-162a9720-4
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MAR-TRE-e86a56b5-33
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NIM-UNI-310206f0-22
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MAT-POS-b5746674-68
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DRA-CSI-7ec17797-6
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MAR-SOS-c7881798-6
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MAR-SOS-82e3a7c7-6
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IAN-BAS-36ca50f1-1
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JON-UIO-066ce08b-3
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NIM-UNI-310206f0-42
0.250
SIM-DEM-2843056b-3
0.250
MAT-POS-2492181e-2
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MAR-SOS-c7881798-8
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MAR-SOS-82e3a7c7-7
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MAR-SOS-c7881798-5
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MAR-SOS-82e3a7c7-8
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EDJ-MED-f073a5ff-3
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SIM-DEM-2843056b-7
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NIM-UNI-310206f0-19
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MAR-TRE-7f7bb9f0-71
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NIM-UNI-310206f0-24
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MAR-TRE-c8530538-79
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UNK-UNK-2ede4078-53
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BAR-COM-4e090d3a-54
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NIM-UNI-310206f0-43
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UNK-UNK-2ede4078-24
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DRA-CSI-47e38074-14
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DRR-IMP-dff87f5e-6
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NIM-UNI-310206f0-11
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BRU-UNI-248b30bc-40
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MAR-UNK-2ebea07b-1
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NIM-UNI-310206f0-28
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MAR-TRE-67513f76-19
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PAT-GYR-de8eec61-2
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MAR-TRE-c8530538-47
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MAT-POS-162a9720-5
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MAR-TRE-3e4e6814-25
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SIM-DEM-2843056b-1
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SIM-DEM-2843056b-6
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NIM-UNI-05f93fcc-10
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JON-UIO-066ce08b-2
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BRU-UNI-248b30bc-29
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NIM-UNI-310206f0-15
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JON-UNI-93996c9d-7
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MAR-TRE-c8530538-68
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NIM-UNI-310206f0-17
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LYN-UNI-c2dd631d-6
0.229
ROM-UNK-ef52a3c9-2
0.229
NIM-UNI-310206f0-50
0.228
NIM-UNI-310206f0-41
0.228
NIM-UNI-310206f0-5
0.228
DRR-IMP-38dce17f-6
0.227
RIC-ARG-a8e88843-1
0.226
UNK-UNK-2ede4078-11
0.226
NIM-UNI-ed9fc491-2
0.226
MAT-POS-ea426761-84
0.226
WAR-XCH-b72a1bbc-41
0.225
NIM-UNI-310206f0-1
0.224
BEN-DND-93268d01-4
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NIM-UNI-310206f0-23
0.224
ALP-POS-c0c213c9-18
0.224
MAK-UNK-a7992eb3-9
0.224
MAT-POS-b5746674-109
0.223
NIM-UNI-310206f0-18
0.223
LON-WEI-5e7d1b3e-16
0.223
LON-WEI-4d77710c-16
0.223
MAT-POS-2492181e-11
0.223
BAR-COM-4e090d3a-17
0.223
MAR-LAB-ff9967db-16
0.223
NJA-MAN-b8640440-31
0.222
MAT-POS-ea426761-85
0.222
NIM-UNI-310206f0-20
0.222
SAD-SAT-f0a2747f-4
0.222