Molecular Properties | |
SMILES: | O=C(Nc1cccc2ncccc12)c1c[nH]c2ncncc12 |
MW: | 289.1 |
Fraction sp3: | 0.0 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 83.56 |
cLogP: | 2.76 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
COM-UCB-1ef4e90e-16
0.605
WIL-UNI-2a57d06c-2
0.440
WIL-UNI-d4749f31-36
0.440
COM-UCB-1ef4e90e-1
0.391
TAT-ENA-80bfd3e5-19
0.351
MAR-TRE-92684b97-90
0.319
WIL-UNI-d4749f31-23
0.317
SID-ELM-1f105489-10
0.297
MAR-TRE-3159af1a-58
0.297
MAR-TRE-3159af1a-72
0.287
LEO-EVO-0d2ed6fc-5
0.284
LEO-EVO-0d2ed6fc-1
0.280
SID-ELM-1f105489-1
0.280
MIC-UNK-08cd9c58-1
0.278
MAT-POS-f7918075-3
0.278
TAM-UNI-c140e31a-19
0.275
SID-ELM-2583a2cd-20
0.272
UNK-UNK-2ede4078-23
0.268
LEO-EVO-0d2ed6fc-7
0.267
LEO-EVO-0d2ed6fc-3
0.265
GAB-REV-70cc3ca5-4
0.263
MAR-UCB-195bc32d-13
0.261
LEO-EVO-0d2ed6fc-6
0.261
KAL-WAB-eb347ebe-1
0.261
TRY-UNI-1fd04853-12
0.260
TRY-UNI-1fd04853-5
0.255
SID-ELM-2583a2cd-21
0.255
TRY-UNI-1fd04853-11
0.255
SID-ELM-1f105489-9
0.253
TRY-UNI-1fd04853-7
0.253
NIC-BIO-25446079-2
0.250
MAR-TRE-3159af1a-69
0.248
MAR-TRE-3159af1a-41
0.248
MAT-POS-ea426761-73
0.245
DAR-DIA-23aa0b97-10
0.245
MAR-TRE-3159af1a-74
0.245
NIC-BIO-25446079-4
0.245
DAR-DIA-23aa0b97-12
0.245
TRY-UNI-1fd04853-8
0.245
MAR-TRE-3159af1a-89
0.242
ANT-DIA-3c79be55-1
0.242
LEO-EVO-0d2ed6fc-4
0.242
COM-UCB-1ef4e90e-19
0.241
MAR-TRE-4b834d9a-97
0.240
TRY-UNI-1fd04853-9
0.240
IND-SYN-3aa4e743-1
0.240
IND-SYN-6c8299e8-5
0.240
AAR-POS-d2a4d1df-20
0.240
WIL-UNI-2a57d06c-38
0.238
RED-RED-10c9212c-38
0.238
NIC-BIO-29f4a211-1
0.238
SAD-SAT-f25ee457-5
0.238
MAR-TRE-3159af1a-36
0.238
MAR-TRE-3159af1a-43
0.238
MAK-UNK-de8f6d00-5
0.237
MAR-TRE-9c797165-17
0.237
RED-RED-10c9212c-43
0.236
MAR-TRE-3159af1a-65
0.235
MAK-UNK-129dcd6f-4
0.235
MAR-TRE-2fd8122f-21
0.235
DAR-DIA-23aa0b97-11
0.235
TRY-UNI-1fd04853-6
0.235
MAR-TRE-3e4e6814-61
0.235
NIC-BIO-174c9b04-1
0.235
SWA-SYN-d2e6fa14-9
0.234
SWA-SYN-6423ea73-10
0.234
MAR-TRE-3159af1a-33
0.232
ASH-UNK-40b46b30-18
0.232
MAR-TRE-9c797165-39
0.232
SWA-SYN-6423ea73-4
0.231
SWA-SYN-d2e6fa14-4
0.231
DAR-DIA-23aa0b97-2
0.231
MAR-TRE-3159af1a-67
0.231
NAU-LAT-42d4957e-5
0.231
TAM-UNI-c140e31a-4
0.230
NIC-BIO-25446079-3
0.230
MAR-TRE-4f781e27-34
0.230
MAR-TRE-3159af1a-9
0.229
MAR-TRE-be9ff7d2-6
0.229
MAK-UNK-b1917cc8-5
0.229
ASH-UNK-40b46b30-14
0.229
WIL-UNI-2a57d06c-30
0.229
MAR-TRE-3159af1a-42
0.229
SAD-SAT-cefd50cc-10
0.228
MAR-TRE-3159af1a-93
0.228
MAR-TRE-74c6519b-68
0.228
LEO-EVO-0d2ed6fc-2
0.227
SID-ELM-b654bfa2-4
0.227
MAR-TRE-3159af1a-8
0.227
MAR-TRE-a78003aa-98
0.227
SID-ELM-8b394441-9
0.227
MAR-TRE-4f781e27-96
0.227
GIA-UNK-b9c616ea-4
0.227
MAR-TRE-3159af1a-61
0.226
NIC-BIO-ec630548-4
0.226
TAM-UNI-c140e31a-17
0.226
TAM-UNI-c140e31a-18
0.226
MAR-TRE-67513f76-30
0.225
MAR-TRE-9d18ae8c-35
0.224
NIC-BIO-174c9b04-2
0.224