Molecular Properties | |
SMILES: | Oc1nnc([C@@H]2CCCN(c3cccnn3)C2)o1 |
MW: | 247.258 |
Fraction sp3: | 0.45 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 88.17 |
cLogP: | 0.9492 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-16
RAF-POL-950dada1-9
0.380
IND-SYN-6c8299e8-1
0.250
STE-KUL-2e0d2e88-4
0.239
MAR-TRE-c8530538-59
0.238
MAR-TRE-2fd8122f-8
0.210
MAR-TRE-e82e6c98-24
0.204
MAR-TRE-2fd8122f-30
0.202
MAK-UNK-9e4a73aa-13
0.200
STE-KUL-2e0d2e88-5
0.198
RAF-POL-b61b4b25-3
0.198
WIL-UNI-d4749f31-25
0.196
MAR-TRE-9c797165-62
0.196
MAR-TRE-9c797165-97
0.194
RED-RED-10c9212c-40
0.194
TAT-ENA-80bfd3e5-13
0.194
AAR-POS-d2a4d1df-30
0.194
MAR-TRE-9c797165-73
0.192
GIA-UNK-30c7cb75-5
0.191
GIA-UNK-30c7cb75-6
0.191
MAR-TRE-67513f76-56
0.190
MAR-TRE-dab8f6ea-33
0.190
MAR-TRE-9c797165-66
0.189
MAR-TRE-67513f76-77
0.189
MAR-TRE-dab8f6ea-25
0.189
WAR-XCH-bdd24732-19
0.189
WAR-XCH-bdd24732-16
0.187
MAR-TRE-e82e6c98-25
0.186
MAR-TRE-67513f76-28
0.186
ANT-DIA-3c79be55-5
0.185
NAU-LAT-64f4b287-10
0.185
MAR-TRE-fd17a9b8-11
0.184
KTA-UNK-dac325de-1
0.184
MAR-TRE-9c797165-51
0.184
GIA-UNK-30c7cb75-4
0.184
MAR-TRE-3159af1a-56
0.184
NIC-BIO-174c9b04-3
0.184
MAR-TRE-a9136c7b-6
0.183
MAR-TRE-dab8f6ea-8
0.183
NIC-BIO-174c9b04-2
0.183
MAK-UNK-c8c8f7e2-29
0.182
BAR-COM-4e090d3a-60
0.182
JOO-IND-b13e14cc-1
0.181
DAR-DIA-fc970077-7
0.180
SEA-TRI-f744d433-1
0.179
MAR-TRE-67513f76-91
0.179
NIM-UNI-bb9030bf-11
0.179
AAR-UNI-c25c2f1e-81
0.179
MAR-TRE-d0525fbf-85
0.179
WAR-XCH-b72a1bbc-32
0.178
NJA-MAN-00c90aa2-71
0.178
MAR-TRE-3159af1a-37
0.178
RED-RED-10c9212c-43
0.178
MAR-TRE-d0525fbf-54
0.178
ABI-SAT-aa268ad7-7
0.177
MAR-TRE-7f7bb9f0-33
0.177
JOO-IND-b13e14cc-2
0.177
JOH-IMS-62aeb97d-3
0.176
NIC-BIO-96ee2ca4-2
0.175
HIR-FOR-a67ea703-1
0.175
JOO-IND-b13e14cc-3
0.175
NIM-UNI-bb9030bf-10
0.175
MAR-TRE-3159af1a-93
0.175
JAG-UCB-cedd89ab-4
0.175
WIL-UNI-1faa9b10-55
0.175
MAR-TRE-9c797165-7
0.175
JAN-GHE-f4ca5a00-19
0.175
MAR-TRE-3159af1a-86
0.173
STE-KUL-2e0d2e88-6
0.173
NAU-LAT-64f4b287-5
0.172
IND-SYN-6c8299e8-4
0.172
MAR-TRE-dab8f6ea-47
0.172
BAR-COM-4e090d3a-54
0.171
MAR-TRE-3159af1a-16
0.171
SAD-SAT-5b1897b2-3
0.171
LYN-UNI-c2dd631d-9
0.170
NIM-UNI-bb9030bf-12
0.170
WAR-XCH-b72a1bbc-28
0.170
MAK-UNK-009ebe36-9
0.170
NJA-MAN-b8640440-2
0.170
MAR-TRE-7f7bb9f0-34
0.170
MAK-UNK-c8c8f7e2-22
0.169
ASH-UNK-40b46b30-9
0.168
RAF-POL-b61b4b25-8
0.168
RED-RED-10c9212c-36
0.168
NIC-BIO-29f4a211-2
0.168
NIC-BIO-ec630548-1
0.168
PET-SGC-01d224dd-1
0.168
WIL-UNI-d4749f31-32
0.168
TRY-UNI-9f475305-5
0.168
MAR-TRE-c8530538-82
0.168
ALP-POS-ced8ea4d-45
0.168
MED-UNK-28939ac5-3
0.167
MAR-TRE-dab8f6ea-48
0.167
PET-UNK-ac320b15-3
0.167
MAR-TRE-3159af1a-74
0.167
DRA-CSI-47e38074-5
0.167
RAF-SAT-b3ff87a1-3
0.167
LYN-UNI-0d9431a4-4
0.167
BAR-COM-4e090d3a-23
0.167
MAR-TRE-3159af1a-90
0.167