Molecular Properties | |
SMILES: | CN(C)Cc1c[nH]c2c(N3CCCCCC3)cc(CCl)cc12 |
MW: | 319.88 |
Fraction sp3: | 0.56 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 22.27 |
cLogP: | 4.3487 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
AAR-POS-d2a4d1df-2
DAR-DIA-eace69ff-22
0.758
DAR-DIA-eace69ff-25
0.758
DAR-DIA-eace69ff-31
0.688
DAR-DIA-eace69ff-30
0.636
DAR-DIA-eace69ff-21
0.618
DAR-DIA-eace69ff-28
0.362
DAR-DIA-eace69ff-29
0.362
DAR-DIA-eace69ff-27
0.354
DAR-DIA-eace69ff-18
0.354
DAR-DIA-eace69ff-34
0.351
DAR-DIA-eace69ff-24
0.349
DAR-DIA-eace69ff-12
0.330
DAR-DIA-eace69ff-33
0.301
DAR-DIA-eace69ff-26
0.293
DAR-DIA-eace69ff-32
0.293
MAK-UNK-be5ffcbc-6
0.261
DAR-DIA-eace69ff-35
0.247
TAM-UNI-c140e31a-16
0.235
MAK-UNK-10572812-12
0.226
UNK-UNK-2ede4078-21
0.219
DAR-DIA-eace69ff-19
0.217
BEN-VAN-d8fd1356-25
0.213
TOM-OIS-cbf37265-1
0.210
BEN-VAN-d8fd1356-26
0.208
MAR-TRE-3159af1a-84
0.208
MAR-TRE-3159af1a-26
0.206
BEN-VAN-d8fd1356-27
0.204
DAR-DIA-eace69ff-5
0.204
NIC-UNI-f08e2453-2
0.204
DAR-DIA-eace69ff-1
0.202
NIR-THE-0d6461ce-2
0.202
NIR-THE-0d6461ce-3
0.200
NIC-BIO-96ee2ca4-1
0.200
MAR-TRE-3159af1a-37
0.200
ROB-UNI-b2e39629-2
0.200
JOK-SYG-b9f02a42-1
0.200
JOK-SYG-b9f02a42-2
0.196
DAR-DIA-eace69ff-16
0.196
MAK-UNK-f983951f-26
0.195
DAR-DIA-03336633-12
0.194
JOK-SYG-b9f02a42-3
0.194
DUN-NEW-f8ce3686-24
0.194
DAR-DIA-fb20be43-15
0.194
NIC-BIO-25446079-2
0.194
DAR-DIA-eace69ff-17
0.192
AAR-UNI-c25c2f1e-13
0.191
ANT-OPE-47f3bb65-2
0.191
DAR-DIA-eace69ff-9
0.190
DAR-DIA-eace69ff-14
0.190
COM-UCB-1ef4e90e-19
0.190
DUN-NEW-f8ce3686-11
0.190
NIC-BIO-25446079-4
0.189
TAM-UNI-c140e31a-18
0.189
JAN-GHE-6413aaf8-8
0.189
TAM-UNI-c140e31a-17
0.189
DAR-DIA-eace69ff-4
0.189
ORN-MSD-5b974918-1
0.189
DAR-DIA-fb20be43-14
0.189
SAD-SAT-29425be4-8
0.189
JAN-GHE-6413aaf8-10
0.188
JOK-SYG-302da050-2
0.188
MAK-UNK-10799360-31
0.188
MAR-TRE-3159af1a-89
0.188
NAU-LAT-445f63e5-5
0.187
DAR-DIA-eace69ff-13
0.186
MAR-TRE-3159af1a-70
0.185
BEN-VAN-d8fd1356-21
0.185
MAK-UNK-b1917cc8-5
0.185
MAT-POS-162a9720-8
0.184
SAD-SAT-f25ee457-5
0.184
JAN-GHE-6413aaf8-9
0.184
SAD-SAT-7d5528d9-18
0.184
RED-RED-10c9212c-52
0.183
ASH-UNK-40b46b30-18
0.183
DAR-DIA-6a49afbe-4
0.183
ROB-UNI-b2e39629-6
0.183
TRY-UNI-1fd04853-7
0.183
NAU-LAT-81109c57-6
0.183
NAU-LAT-f723e322-1
0.183
DAR-DIA-fb20be43-11
0.183
JOK-SYG-302da050-1
0.183
STU-CHA-bc0a9883-1
0.183
DAR-DIA-caba39e3-5
0.183
TAM-UNI-c140e31a-4
0.182
MAK-UNK-be5ffcbc-2
0.182
NIC-UNI-f08e2453-1
0.182
MAR-TRE-3159af1a-99
0.182
MAR-TRE-fffca54f-95
0.182
PAT-UNK-b2d83456-4
0.182
JOK-SYG-18591e8f-1
0.182
JAN-GHE-6413aaf8-7
0.181
MAR-TRE-6a44bbf2-62
0.181
JOH-IMS-7e73aedd-4
0.181
MAT-POS-044491d2-5
0.180
MAK-UNK-be5ffcbc-4
0.180
PAT-UNK-b2d83456-3
0.180
NIR-THE-0d6461ce-9
0.180
DAR-DIA-eace69ff-10
0.179
MAR-TRE-3159af1a-50
0.179
BEN-VAN-d8fd1356-22
0.179