Molecular Properties | |
SMILES: | CN(C)Cc1c[nH]c2c(N3CCCCCC3)cc(CF)cc12 |
MW: | 303.425 |
Fraction sp3: | 0.56 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 22.27 |
cLogP: | 4.0794 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
DAR-DIA-eace69ff-25
0.770
DAR-DIA-eace69ff-23
0.758
DAR-DIA-eace69ff-30
0.672
DAR-DIA-eace69ff-31
0.672
DAR-DIA-eace69ff-21
0.627
DAR-DIA-eace69ff-29
0.367
DAR-DIA-eace69ff-28
0.367
DAR-DIA-eace69ff-27
0.358
DAR-DIA-eace69ff-18
0.358
DAR-DIA-eace69ff-34
0.356
DAR-DIA-eace69ff-24
0.354
DAR-DIA-eace69ff-33
0.321
DAR-DIA-eace69ff-12
0.319
DAR-DIA-eace69ff-32
0.312
DAR-DIA-eace69ff-26
0.296
MAK-UNK-be5ffcbc-6
0.278
DAR-DIA-eace69ff-35
0.250
MAK-UNK-10572812-12
0.239
TAM-UNI-c140e31a-16
0.237
DAR-DIA-eace69ff-19
0.233
BEN-VAN-d8fd1356-25
0.228
BEN-VAN-d8fd1356-27
0.219
TOM-OIS-cbf37265-1
0.212
UNK-UNK-2ede4078-21
0.210
NIC-BIO-25446079-2
0.209
AAR-UNI-c25c2f1e-13
0.207
DAR-DIA-eace69ff-5
0.206
NIC-UNI-f08e2453-2
0.206
NIC-BIO-25446079-4
0.204
DAR-DIA-eace69ff-1
0.204
MAR-TRE-3159af1a-37
0.202
KRI-MAR-d2e3ef86-12
0.202
DAR-DIA-eace69ff-4
0.202
ORN-MSD-5b974918-1
0.202
MAK-UNK-b1917cc8-5
0.200
DAR-DIA-eace69ff-13
0.200
BEN-VAN-d8fd1356-21
0.200
MAR-TRE-3159af1a-84
0.198
BEN-VAN-d8fd1356-26
0.198
DAR-DIA-eace69ff-16
0.198
RED-RED-10c9212c-52
0.196
DAR-DIA-03336633-12
0.196
MAK-UNK-be5ffcbc-2
0.196
MAK-UNK-be5ffcbc-4
0.194
DAR-DIA-eace69ff-17
0.194
BEN-VAN-d8fd1356-22
0.194
WIL-LEE-1f71e281-6
0.194
ANT-OPE-47f3bb65-2
0.193
MAK-UNK-be5ffcbc-9
0.193
DAR-DIA-eace69ff-9
0.192
DAR-DIA-eace69ff-14
0.192
NIR-THE-0d6461ce-2
0.192
COM-UCB-1ef4e90e-19
0.192
SAM-UNK-903735bd-1
0.192
DUN-NEW-f8ce3686-11
0.192
LON-WEI-b8d98729-34
0.191
TOM-OIS-cbf37265-2
0.191
ANT-OPE-47f3bb65-1
0.191
JAN-GHE-6413aaf8-8
0.191
NIC-BIO-96ee2ca4-1
0.190
NIR-THE-0d6461ce-3
0.190
NIC-BIO-ec630548-2
0.190
SCO-VAN-260d9628-6
0.190
NAU-LAT-445f63e5-5
0.189
NIC-BIO-ec630548-4
0.188
MAR-TRE-3159af1a-70
0.187
MAT-POS-162a9720-8
0.186
NIC-BIO-29f4a211-1
0.186
JAN-GHE-6413aaf8-9
0.186
ASH-UNK-40b46b30-18
0.185
MAR-TRE-3159af1a-26
0.184
SWA-SYN-6423ea73-10
0.184
SWA-SYN-d2e6fa14-9
0.184
TOM-OIS-cbf37265-3
0.184
MAR-TRE-fffca54f-95
0.184
PAT-UNK-b2d83456-4
0.184
MAR-TRE-3159af1a-1
0.183
NIC-UNI-f08e2453-1
0.183
TAM-UNI-c140e31a-4
0.183
DAR-DIA-eace69ff-20
0.183
PAT-UNK-b2d83456-3
0.182
JON-UNI-57097b3f-2
0.182
DAR-DIA-eace69ff-10
0.181
BEN-VAN-d8fd1356-20
0.181
TAM-UNI-c140e31a-17
0.180
TAM-UNI-c140e31a-18
0.180
MAR-TRE-c8530538-95
0.180
MAR-TRE-3159af1a-21
0.180
NIC-BIO-29f4a211-2
0.180
JOK-SYG-b9f02a42-1
0.179
WAR-XCH-e55cba98-3
0.179
MAR-TRE-3159af1a-90
0.178
JAN-GHE-6413aaf8-10
0.178
JOK-SYG-302da050-2
0.178
MAR-TRE-3159af1a-40
0.178
WEI-UNI-64684f14-3
0.178
ANT-OPE-47f3bb65-3
0.178
DAR-DIA-eace69ff-7
0.178
JOH-MSK-a63bdd1d-10
0.177
ABI-SAT-aa268ad7-2
0.177