Molecular Properties | |
SMILES: | CCc1cc(N2CCCCCC2)c2[nH]cc(CN(C)C)c2c1 |
MW: | 299.462 |
Fraction sp3: | 0.58 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 22.27 |
cLogP: | 4.1723 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
DAR-DIA-eace69ff-22
0.770
DAR-DIA-eace69ff-23
0.758
DAR-DIA-eace69ff-31
0.672
DAR-DIA-eace69ff-30
0.646
DAR-DIA-eace69ff-21
0.627
DAR-DIA-eace69ff-28
0.459
DAR-DIA-eace69ff-29
0.459
DAR-DIA-eace69ff-34
0.456
DAR-DIA-eace69ff-18
0.447
DAR-DIA-eace69ff-27
0.447
DAR-DIA-eace69ff-24
0.442
DAR-DIA-eace69ff-12
0.395
DAR-DIA-eace69ff-26
0.364
DAR-DIA-eace69ff-33
0.305
DAR-DIA-eace69ff-32
0.296
DAR-DIA-eace69ff-19
0.276
MAK-UNK-be5ffcbc-6
0.264
DAR-DIA-eace69ff-5
0.255
DAR-DIA-eace69ff-1
0.253
DAR-DIA-eace69ff-16
0.250
DAR-DIA-eace69ff-35
0.250
DAR-DIA-eace69ff-17
0.245
BEN-VAN-d8fd1356-25
0.242
MAK-UNK-10572812-12
0.239
DAR-DIA-eace69ff-4
0.238
TAM-UNI-c140e31a-16
0.237
DAR-DIA-eace69ff-13
0.237
DAR-DIA-eace69ff-9
0.228
DAR-DIA-eace69ff-10
0.228
DAR-DIA-eace69ff-14
0.228
UNK-UNK-2ede4078-21
0.221
DAR-DIA-eace69ff-6
0.219
DAR-DIA-eace69ff-11
0.219
DAR-DIA-eace69ff-15
0.219
BEN-VAN-d8fd1356-27
0.219
MAR-TRE-3159af1a-37
0.214
BEN-VAN-d8fd1356-21
0.213
ROM-UNK-ef52a3c9-3
0.212
TOM-OIS-cbf37265-1
0.212
DAR-DIA-eace69ff-7
0.212
BEN-VAN-d8fd1356-26
0.211
MAR-TRE-3159af1a-84
0.210
NIC-BIO-25446079-2
0.209
DAR-DIA-eace69ff-20
0.209
DAR-DIA-03336633-12
0.208
BEN-VAN-d8fd1356-22
0.207
NIC-UNI-f08e2453-2
0.206
NIC-BIO-25446079-4
0.204
COM-UCB-1ef4e90e-19
0.204
DAR-DIA-eace69ff-2
0.204
NAU-LAT-445f63e5-5
0.202
MAR-TRE-3159af1a-40
0.202
NIC-BIO-96ee2ca4-1
0.202
JAN-GHE-6413aaf8-8
0.202
MAK-UNK-b1917cc8-5
0.200
MAR-TRE-3159af1a-70
0.198
JAN-GHE-6413aaf8-9
0.198
ROM-UNK-ef52a3c9-4
0.196
TAM-UNI-c140e31a-4
0.194
AAR-UNI-c25c2f1e-13
0.194
BEN-VAN-d8fd1356-20
0.194
ANT-OPE-47f3bb65-2
0.193
TAM-UNI-c140e31a-8
0.193
NIC-BIO-29f4a211-2
0.192
DUN-NEW-f8ce3686-11
0.192
TAM-UNI-c140e31a-17
0.191
TAM-UNI-c140e31a-18
0.191
ORN-MSD-5b974918-1
0.190
MAR-TRE-3159af1a-90
0.190
JAN-GHE-6413aaf8-10
0.190
NIC-BIO-ec630548-2
0.190
KRI-MAR-d2e3ef86-12
0.190
NIC-BIO-25446079-3
0.189
MAR-TRE-3159af1a-89
0.189
JUL-TUD-06b2044f-114
0.189
NIC-BIO-ec630548-4
0.188
MAR-TRE-3159af1a-93
0.188
BEN-VAN-d8fd1356-23
0.188
SAD-SAT-f25ee457-6
0.188
JOK-SYG-b9f02a42-2
0.187
MAR-TRE-3159af1a-69
0.186
MAT-POS-162a9720-8
0.186
NIC-BIO-96ee2ca4-2
0.186
JAN-GHE-6413aaf8-6
0.186
MAR-TRE-3159af1a-36
0.186
NIC-BIO-29f4a211-1
0.186
SAD-SAT-f25ee457-5
0.186
RED-RED-10c9212c-52
0.185
ASH-UNK-40b46b30-18
0.185
AAR-POS-d2a4d1df-20
0.185
TRY-UNI-1fd04853-7
0.185
JAN-GHE-6413aaf8-5
0.184
SWA-SYN-d2e6fa14-9
0.184
SWA-SYN-6423ea73-10
0.184
MAR-TRE-dab8f6ea-43
0.184
YUN-WES-58b0dbae-3
0.184
MAR-TRE-fffca54f-95
0.184
PAT-UNK-b2d83456-4
0.184
MAK-UNK-be5ffcbc-2
0.184
MAR-TRE-3159af1a-99
0.183