Molecule Details

FUN-UNK-4860b43a-3 View Submission
F
Molecular Properties
SMILES:
F
MW: 20.01
Fraction sp3: 0.0
HBA: 0
HBD: 0
Rotatable Bonds: 0
TPSA: 0.0
cLogP: 0.15
Covalent Warhead: ✗
Covalent Fragment: ✗

O=C1NC(=O)N1

MAK-UNK-4b073b5c-3
0.125

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O=C1NCN1

MAK-UNK-4b073b5c-4
0.100

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CS(=O)(=O)C1=C(C#N)C1

MAK-UNK-95198336-17
0.048

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CC12CCC(CC1)C(C)(C)O2

MAK-UNK-0cb6a3ad-3
0.048

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CC12CCC(CC1)C(C)(C)O2

BET-COM-8a5969bb-1
0.048

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O=C(CCl)N1CCO1

MAK-UNK-95198336-5
0.048

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O=C(CCl)N1CCOCC1

MAK-UNK-f983951f-21
0.038

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CC(C)(C#N)N1CCOCC1

MAK-UNK-be3f299e-7
0.038

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N#C[C@@H](N)C1CCOCC1

MAK-UNK-be3f299e-3
0.038

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N#CCC1(O)CCOCC1

MAK-UNK-be3f299e-9
0.038

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N#CC(N)C1CCOC1

MAK-UNK-be3f299e-10
0.037

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C1CCCN(C2CCOCC2)CC1

JOH-IMS-7e73aedd-10
0.037

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O=C(CCl)N1CCOC1

SAD-SAT-6b5a89f0-2
0.037

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O=C(CCl)N1CCCO1

MAK-UNK-4b073b5c-19
0.037

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C1CCCN(C2CCOCC2)CC1

JOH-IMS-0f19a540-4
0.037

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CC(Cl)C(=O)N1CCOCC1

MAK-UNK-f983951f-6
0.036

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O=C(CCl)N1CSCCO1

SAD-SAT-6b5a89f0-6
0.034

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N=C(N=C(N)N)N1CCOCC1

KEI-TRE-fa9ada3e-9
0.034

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CC/C(N)=N\c1cncnc1

SUG-SAT-424020ef-1
0.033

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NCC(=O)CNc1cncnc1

MAR-TRE-85681e92-93
0.031

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O=C(CCl)N1CCC2(CC1)OCCO2

SAD-SAT-65574d3f-5
0.030

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CCC1OCCN1C(=O)CCl

SAD-SAT-d8079f6f-2
0.029

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CC(C)NC(=O)N(C)CCN(C)C(=O)CCl

VIK-SYN-9a3d118a-7
0.029

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CCCNCN1CCCOCC1

MAK-UNK-9955b1f3-2
0.028

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Cl[Au+]=c1n(CCN2CCOCC2)ccn1CCN1CCOCC1

MAR-TRE-d3c2bf0e-47
0.028

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OCC(O)C(O)C(O)C(O)CNc1cncnc1

MAR-TRE-85681e92-97
0.027

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O=C(O)CNC(=O)CNc1cncnc1

MAR-TRE-85681e92-61
0.027

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CCN(C)CCN1CCCOCC1

MAK-UNK-9955b1f3-3
0.027

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CC(=O)N1CCN(C(=O)N2CCCOCC2)CC1

JOH-UNI-27ac80fd-19
0.027

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Clc1cccc(CN2CCOCC2)c1

JOH-IMS-1436231f-6
0.026

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Clc1cccc(CN2CCOCC2)c1

AAR-POS-0daf6b7e-29
0.026

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c1ccc(SCCN2CCOCC2)cc1

AAR-POS-0daf6b7e-28
0.026

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N#CN1CCN(CN2CCCOCC2)CC1

JOH-UNI-27ac80fd-12
0.026

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NC1=C=NC(N2CCCOCC2)=N1

MAK-UNK-9955b1f3-14
0.026

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CNCc1c[nH]c2ccc(Cl)cc12

DAR-DIA-eace69ff-37
0.025

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CC(C)[C@H](NCC#N)C(=O)N1CCOCC1

MAK-UNK-be3f299e-5
0.025

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Cl[Au+]=c1n(CCCN2CCOCC2)ccn1CCCN1CCOCC1

MAR-TRE-d3c2bf0e-64
0.025

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Oc1nc(CCC2OCCO2)c(CCl)o1

MAR-TRE-8a25d817-80
0.025

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CC(=O)N1CCN(CN2CCCOCC2)CC1

JOH-UNI-27ac80fd-1
0.025

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OC(NC1CCOCC1)NC1CCCNC1

TJS-FNM-7071dcd1-1
0.025

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O=C(CCl)Nc1cc2c(cc1Br)OCCO2

MAR-TRE-6a44bbf2-51
0.025

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O=C(Cc1cncnc1)CN1CCOCC1

MAK-UNK-748f8b7a-11
0.025

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Oc1cc(CCNc2cncnc2)cc(O)c1O

MAR-TRE-85681e92-47
0.025

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N#CCSc1nc(N2CCOCC2)nc(N2CCOCC2)n1

MAR-TRE-6c5ef77a-38
0.025

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O=C(CC(=O)N1CCOCC1)NC1CCCCC1

GIA-UNK-3f36037a-1
0.025

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CNCc1c[nH]c2ccc(F)cc12

DAR-DIA-eace69ff-36
0.025

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O=C(N1CCOCC1)N1C[C@@H]2C[C@]2(C(=O)O)C1

RAF-POL-b61b4b25-1
0.024

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O=C(CCl)N1CCC(C(=O)N2CCOC2)CC1

MAK-UNK-704ed37c-3
0.024

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O=C(CCl)Nc1ccc2c(c1)OCCO2

MAR-TRE-6a44bbf2-74
0.024

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N#CN1CCN(C(F)N2CCCOCC2)CC1

JOH-UNI-27ac80fd-22
0.024

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N#CCC(=O)c1ccc2c(c1)OCCO2

MAR-TRE-a3327163-77
0.024

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N#CN1CCN(C2(N3CCCOCC3)CC2)CC1

JOH-UNI-27ac80fd-15
0.024

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N#CN1CCN(C(F)(F)N2CCCOCC2)CC1

JOH-UNI-27ac80fd-16
0.024

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N#CN1CCN(C(=O)N2CCCOCC2)CC1

JOH-UNI-27ac80fd-17
0.024

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NCC1CCCC(Cn2ccn(CC3CCCC(CN)C3)c2=[Au+]Cl)C1

MAR-TRE-d3c2bf0e-24
0.024

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O=C(CCl)N1CCC(C(=O)N2CCCO2)CC1

MAK-UNK-704ed37c-2
0.024

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Oc1nc(CCC2OCCCO2)c(CCl)o1

MAR-TRE-8a25d817-50
0.024

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Cc1ccc(NC(=S)NN2CCOCC2)cc1

MAR-LAB-ca4662a6-9
0.024

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CNC(=O)N[C@H]1CCOC(N)(CO)O1

JON-UIO-cc955e79-4
0.024

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N#CN1CCN(C2(N3CCCOCC3)CCO2)CC1

JOH-UNI-27ac80fd-18
0.024

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CC(=O)N1CCN(C(F)(F)N2CCCOCC2)CC1

JOH-UNI-27ac80fd-20
0.024

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CN1CCOc2ccc(S(N)(=O)=O)cc21

IND-SYN-8f867502-2
0.024

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NC(=O)c1ccc(NC(=O)[C@@H]2CCCO2)cc1

AAR-POS-0daf6b7e-41
0.024

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N#CCCn1nc(-c2ccccc2)cc1O

MAR-TRE-1c920f6f-73
0.024

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N=Cc1ccc(-c2cc(F)cc(S(N)(=O)=O)c2)cc1

JON-UIO-82a15e73-11
0.024

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NC(CCC(O)CNc1cncnc1)C(=O)O

MAR-TRE-85681e92-85
0.023

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O=C(Nc1ccc(CO)cc1)C1CCCO1

KEN-ILL-f8fa3277-2
0.023

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O=C(CCl)Nc1ccc2c(c1)OCCCO2

MAR-TRE-6a44bbf2-17
0.023

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OCC1CN(Cc2ccccc2)CCO1

AAR-POS-0daf6b7e-30
0.023

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N#CCc1nnc(-c2cccc(Cl)c2)[nH]1

MAR-TRE-1c920f6f-88
0.023

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CC1COCCN1c1ccc(C#N)nc1

JOH-UNI-522b0723-1
0.023

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O=C(CC(=O)N1CCOCC1)Nc1ccccc1

GIA-UNK-3f36037a-2
0.023

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C=CC(=O)N1CCN(CN2CCCOCC2)CC1

JOH-UNI-27ac80fd-3
0.023

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O=C(CF)N1CCN(CN2CCCOCC2)CC1

JOH-UNI-27ac80fd-2
0.023

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O=C(CCl)N1CCN(CN2CCCOCC2)CC1

JOH-UNI-27ac80fd-4
0.023

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Cc1ccc(CN2CCC(CN)CC2)cc1Cl

UNK-UNK-2ede4078-98
0.023

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O=C1OCCC1Nc1cnc(CCl)[nH]1

MAR-TRE-87acfbcc-100
0.023

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CC(O)C(O)C1CNc2nc(N)nc(N)c2N1

MAR-TRE-3724962b-27
0.022

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CC1OCCN(c2ccc(C#N)nc2)C1C

JOH-UNI-522b0723-2
0.022

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O=C(CCl)NC1CCOc2ccccc21

MAT-POS-162a9720-6
0.022

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Nc1ccc(NC(=O)C2CCOCC2)cn1

MAR-TRE-67513f76-75
0.022

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CC(C)(C#CCN1CCOCC1)OCCC#N

MAR-TRE-6c5ef77a-21
0.022

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N#CN1CCN(CN2CCOCCS2(=O)=O)CC1

JOH-UNI-27ac80fd-21
0.022

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Cc1nc(C2(NC(=O)CCl)CCCCC2)no1

MAR-TRE-6a44bbf2-25
0.022

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O=C(O)C(CS(=O)(=O)O)Nc1c[nH]nc1CCl

MAR-TRE-423310b6-82
0.022

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N#Cc1ccc(N2CCCOCC2)cn1

AAR-POS-d2a4d1df-19
0.022

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c1ccc(N2CCC3(CCOC3)C2)nc1

SAN-PRI-c9355cc8-1
0.022

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Cc1cccc2c(=O)[nH]c(CC#N)nc12

MAR-TRE-1c920f6f-92
0.022

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Cc1cc(C)c2nc(SCC#N)cc(C)c2c1

MAR-TRE-14ce9fd6-88
0.022

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CC(CNCC1CCCO1)N1CCN(C)CC1

MAK-UNK-b1917cc8-4
0.022

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O=C(NCC1OCCO1)c1conc1CCl

MAR-TRE-a78003aa-88
0.022

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CC(C)(O)C1COC(Nc2cc(O)cc(O)c2)C(F)C1

VIT-UNK-b910b07f-1
0.022

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Nc1c[nH]c(=O)n1CN1CCCOCC1

MAK-UNK-9955b1f3-15
0.022

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CN(Cc1ccc2c(c1)OCCO2)C(=O)CCl

MAR-TRE-6a44bbf2-94
0.022

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COC(=O)C1(O)CCOc2ccc(Cl)cc21

EDG-MED-21720aac-1
0.022

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O=C(C1CCN(c2ccncc2)CC1)N1CCOCC1

GIA-UNK-30c7cb75-2
0.022

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CC1CN(C(=O)Cn2cccn2)CCO1

AAR-POS-0daf6b7e-38
0.022

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c1cnc(N2CCC3(CCOC3)C2)cn1

AAR-POS-0daf6b7e-27
0.022

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N#Cc1ccc(CNC(=O)N2CCOCC2)cc1

AAR-POS-d2a4d1df-21
0.021

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COC1C=CC(CNc2cncnc2)(OC)O1

MAR-TRE-85681e92-90
0.021

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Discussion:

Contributor: Funt Vagg - Thu, 13 Jan 2022 08:32:02 +0000