Molecular Properties | |
SMILES: | CN1c2cccc(C(N)=O)c2N=c2cc3c(c(C(N)=O)c21)=Nc1ccccc1O3 |
MW: | 385.383 |
Fraction sp3: | 0.05 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 123.37 |
cLogP: | 1.974 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Quinones, quinone-(di)imines and their thio- and phospho-analogues
KEN-UNI-c79d77dd-1
0.221
ANT-OPE-66a89c65-1
0.211
NAU-LAT-8502cac5-7
0.207
NAU-LAT-8502cac5-4
0.202
ANT-OPE-06da2058-1
0.196
MAT-POS-ea426761-93
0.196
EDJ-MED-0e996074-1
0.191
EDJ-MED-2c295496-1
0.191
ANT-OPE-3d7cb11b-2
0.189
MAR-TRE-6a44bbf2-75
0.188
NAU-LAT-8502cac5-6
0.188
BER-UNK-c44c38d5-3
0.187
CHE-UNK-1fcbaeee-4
0.186
ANT-OPE-66a89c65-2
0.186
REN-UFA-aaaed2d6-6
0.186
NAU-LAT-8502cac5-5
0.186
BRU-THA-a358fbdd-5
0.186
MAR-UCB-9ef021e0-1
0.185
UNK-CYC-68f84b31-70
0.185
MAK-UNK-3f402c2b-6
0.184
ANT-OPE-3d7cb11b-4
0.184
UNK-UNK-2ede4078-85
0.184
DAR-DIA-1a77c53a-7
0.184
ANT-OPE-3d7cb11b-1
0.183
NAU-LAT-8502cac5-9
0.183
CHE-UNK-3dacc16b-3
0.181
KAT-FAI-9b65c29e-1
0.181
MAK-UNK-3875bbc8-3
0.181
NAU-LAT-8502cac5-1
0.181
CHE-UNK-1fcbaeee-2
0.180
MAT-POS-162a9720-1
0.180
LON-WEI-b2874fec-27
0.179
CHE-UNK-1fcbaeee-5
0.179
MAR-TRE-3e4e6814-22
0.178
AAR-UNI-c25c2f1e-25
0.177
MAR-TRE-f6f5f473-78
0.176
MAK-UNK-df1a028e-3
0.175
JOH-MR_-42fa5481-5
0.175
JON-UIO-314afe9d-2
0.175
MAT-UCB-70f7c0f7-6
0.174
RAL-THA-04c5403f-2
0.174
BAR-COM-4e090d3a-62
0.173
WIL-UNI-1faa9b10-43
0.173
UNK-CYC-68f84b31-81
0.172
ROD-LAS-d5538ff9-6
0.172
UNK-UNK-2ede4078-79
0.172
AAR-UNI-c25c2f1e-7
0.171
CHE-UNK-1fcbaeee-1
0.171
JAG-UCB-c61058a9-15
0.170
MAR-TRE-3e4e6814-16
0.169
CLI-UNI-032f7715-3
0.168
BEN-DND-7e92b6ca-3
0.168
MAR-TRE-2fd8122f-49
0.168
MAK-UNK-129dcd6f-1
0.168
JAR-IMP-ed466bb3-7
0.167
MAR-TRE-c8530538-86
0.167
MAR-LAB-ff9967db-28
0.165
MAR-TRE-d0525fbf-65
0.165
ROB-UNI-afd54964-1
0.165
MAR-TRE-b77b7921-99
0.165
ERI-UCB-a0b0dbcb-10
0.165
AAR-UNI-c25c2f1e-19
0.165
UNK-CYC-68f84b31-83
0.165
ERI-UCB-fbdd3ea1-33
0.165
RAF-POL-b61b4b25-9
0.165
SID-ELM-8b394441-1
0.165
JAR-IMP-b007c7c2-13
0.164
JAG-UCB-f37eaa14-7
0.164
MAR-TRE-b77b7921-89
0.164
MAT-POS-ea426761-107
0.164
HEI-REL-0c990a45-6
0.164
JAG-UCB-c61058a9-33
0.164
MAR-TRE-36bf7dba-63
0.164
HOL-KAN-2ecfe6d5-1
0.163
BEN-DND-fa51d92c-3
0.163
MAR-LAB-ff9967db-37
0.163
MAK-UNK-e4a48a85-17
0.163
LUI-IND-a1be81af-3
0.163
TAT-ENA-80bfd3e5-3
0.163
KAT-FAI-9b65c29e-2
0.163
EDJ-MED-dd2a8363-1
0.163
MAK-UNK-f203cb68-9
0.162
UNK-CYC-68f84b31-60
0.162
TAM-UNI-c140e31a-16
0.162
JOH-UNI-522b0723-9
0.162
LON-WEI-b2874fec-6
0.162
ANT-OPE-7b52af4b-1
0.162
EMI-TUK-a58865cc-1
0.162
MAT-POS-be048f2c-8
0.162
AMI-CSI-2ea5bed6-3
0.162
RAF-POL-b61b4b25-6
0.162
EDJ-MED-cc48ee33-3
0.162
MAK-UNK-c8c8f7e2-26
0.162
MAK-UNK-7a704a63-13
0.162
BAR-COM-4e090d3a-2
0.162
UNK-CYC-68f84b31-48
0.161
MAR-TRE-04c86cea-34
0.161
WIL-UNI-d4749f31-33
0.161
WIL-UNI-d4749f31-34
0.161
MIH-UNI-e573136b-8
0.161