Molecular Properties | |
SMILES: | N#Cc1cnc(NC(=O)Cc2cc3cccnc3[nH]2)o1 |
MW: | 267.248 |
Fraction sp3: | 0.08 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 107.6 |
cLogP: | 1.60378 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
DAR-DIA-842b4336-22
0.700
DAR-DIA-842b4336-21
0.690
DAR-DIA-842b4336-24
0.568
DAR-DIA-842b4336-19
0.557
DAR-DIA-842b4336-18
0.532
DAR-DIA-842b4336-23
0.519
DAR-DIA-842b4336-17
0.506
DAR-DIA-842b4336-15
0.373
BEN-DND-61647d40-7
0.303
BEN-DND-61647d40-8
0.299
DAR-DIA-842b4336-14
0.287
ANT-DIA-3c79be55-1
0.287
DAR-DIA-23aa0b97-2
0.286
ANT-DIA-3c79be55-2
0.279
DAR-DIA-23aa0b97-1
0.278
TRY-UNI-1fd04853-10
0.273
DAR-DIA-23aa0b97-6
0.270
DAR-DIA-23aa0b97-4
0.270
DAR-DIA-23aa0b97-17
0.267
ANN-UNI-26382800-5
0.267
KAL-WAB-eb347ebe-1
0.267
ERI-UCB-ce40166b-12
0.266
TRY-UNI-1fd04853-6
0.265
TRY-UNI-1fd04853-12
0.265
DAR-DIA-842b4336-16
0.264
TRY-UNI-1fd04853-8
0.263
ANT-DIA-3c79be55-3
0.262
DAR-DIA-842b4336-9
0.261
MAR-TRE-2fd8122f-68
0.260
THO-SYG-cc9e9a11-8
0.260
DAR-DIA-842b4336-6
0.258
GAB-REV-70cc3ca5-11
0.255
SAD-SAT-24589cd1-8
0.250
DAR-DIA-23aa0b97-12
0.250
AGN-NEW-c7b24fe3-4
0.250
MAR-TRE-3159af1a-33
0.250
THO-SYG-cc9e9a11-4
0.248
MAT-POS-cc05818f-1
0.248
RAL-THA-2d450e86-17
0.248
MAT-POS-bb423b95-2
0.247
MAR-TRE-6c5ef77a-20
0.247
AGN-NEW-c7b24fe3-3
0.247
MAK-UNK-6ca90168-23
0.247
SAD-SAT-f25ee457-3
0.245
VLA-UNK-9a7dc93f-2
0.245
THO-SYG-cc9e9a11-6
0.245
SAD-SAT-24589cd1-3
0.245
SAD-SAT-24589cd1-1
0.245
ALP-POS-95b75b4d-9
0.245
SAD-SAT-24589cd1-5
0.245
MAR-TRE-74c6519b-55
0.245
SID-UNK-90efdc9b-1
0.244
THO-SYG-cc9e9a11-7
0.243
MAR-TRE-2fd8122f-46
0.243
BAR-COM-4e090d3a-14
0.243
PET-SGC-175e168c-1
0.242
TRY-UNI-1fd04853-1
0.242
TRY-UNI-714a760b-20
0.242
BEN-DND-61647d40-17
0.242
SAN-PRS-52b81272-2
0.241
VLA-UNK-b9c208fe-1
0.240
WIL-UNI-5578df48-31
0.240
UNK-UNK-2ede4078-51
0.240
DAR-DIA-842b4336-12
0.239
SAD-SAT-24589cd1-4
0.238
MAR-TRE-3e4e6814-100
0.238
MAR-TRE-14ce9fd6-37
0.238
MAR-TRE-67513f76-81
0.237
MAR-TRE-1c920f6f-42
0.237
CHR-SOS-54d5cf3e-5
0.236
MAR-TRE-67513f76-97
0.235
SID-ELM-433ea7f3-4
0.235
DAR-DIA-23aa0b97-18
0.235
PET-UNK-dd44aeb6-3
0.235
RAL-THA-2d450e86-28
0.235
MAR-TRE-9c797165-12
0.235
TRY-UNI-1fd04853-5
0.235
JOR-UNI-61e7b1d5-1
0.235
MAR-TRE-3159af1a-9
0.234
THO-SYG-cc9e9a11-3
0.234
MAR-TRE-6c5ef77a-55
0.234
MAK-UNK-51bb34f9-3
0.234
EDJ-MED-c9f55a56-1
0.233
MAR-TRE-3159af1a-40
0.233
MAR-TRE-3159af1a-90
0.233
MAK-UNK-a7b37c5e-5
0.233
JAC-SHE-fc18d444-1
0.232
THO-SYG-cc9e9a11-2
0.232
MAR-TRE-14ce9fd6-27
0.232
RAL-THA-2d450e86-12
0.232
MAR-TRE-b77b7921-67
0.232
MAK-UNK-72659d64-1
0.232
TRY-UNI-2eddb1ff-1
0.232
MAR-TRE-3159af1a-8
0.232
MAK-UNK-748f8b7a-6
0.231
SAD-SAT-24589cd1-6
0.231
JOR-UNI-61e7b1d5-8
0.231
MAK-UNK-d1e89583-6
0.231
WAR-XCH-6eb0722e-1
0.231
JOH-UNI-3fc3434e-8
0.230