Molecular Properties | |
SMILES: | NCCc1ccncc1CC(=O)Nc1ccccc1 |
MW: | 255.321 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 68.01 |
cLogP: | 1.764 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-03336633-2
0.553
GIA-UNK-3f36037a-7
0.448
DAR-DIA-23aa0b97-20
0.420
SAD-SAT-6b5a89f0-8
0.375
MAR-TRE-2fd8122f-99
0.368
SAN-PRS-52b81272-2
0.364
ERI-WAB-56c49854-1
0.362
CUN-WAB-25b584ee-2
0.352
EDJ-MED-49816e9b-1
0.351
MAK-UNK-a7b37c5e-2
0.347
WIL-UNI-5578df48-11
0.347
AAR-POS-d2a4d1df-11
0.344
MAK-UNK-c749d764-17
0.338
MAK-UNK-a7b37c5e-1
0.338
MAR-TRE-4f781e27-49
0.338
LIL-FNM-e1865f24-1
0.333
NAU-LAT-3f5f3993-7
0.329
ALE-HEI-f28a35b5-1
0.329
TRY-UNI-714a760b-4
0.329
MAR-TRE-67513f76-81
0.328
MAK-UNK-129dcd6f-6
0.324
MAK-UNK-c749d764-27
0.324
GIA-UNK-3f36037a-4
0.324
SIM-SYN-a98e6a07-4
0.323
ANU-UNK-2781581f-2
0.321
SIM-SYN-a98e6a07-2
0.321
MAK-UNK-c749d764-13
0.321
MAK-UNK-c749d764-14
0.321
BEN-DND-031a96cc-8
0.319
DAR-DIA-23aa0b97-4
0.316
CHR-SOS-70e4c98a-6
0.316
DAR-DIA-03336633-11
0.315
MAK-UNK-a7b37c5e-4
0.314
MAR-TRE-14ce9fd6-61
0.313
NAU-LAT-3f5f3993-8
0.312
MAK-UNK-c749d764-23
0.312
CHR-SOS-f7373dd1-4
0.312
DAR-DIA-fc970077-9
0.310
WIL-UNI-5578df48-6
0.310
AUS-ARG-7cfdce8f-11
0.310
GIA-UNK-3f36037a-2
0.310
DAR-DIA-23aa0b97-19
0.310
BEN-DND-61647d40-15
0.309
BAR-COM-4e090d3a-11
0.309
HAN-NEW-5f56c3bc-3
0.308
DAR-DIA-03336633-1
0.308
CHR-SOS-70e4c98a-8
0.308
WIL-UNI-5578df48-10
0.307
TRY-UNI-714a760b-5
0.306
WIL-UNI-5578df48-9
0.305
BEN-DND-61647d40-16
0.305
SID-ELM-2583a2cd-5
0.304
WIL-LEE-23e8b574-6
0.304
CHR-SOS-f7373dd1-1
0.304
MAK-UNK-30aad1f1-4
0.303
ANN-UNI-98d2bf15-1
0.303
WIL-UNI-5578df48-8
0.303
JOH-UNI-abfda500-6
0.303
TRY-UNI-714a760b-8
0.301
DAR-DIA-23aa0b97-16
0.301
BAR-COM-4e090d3a-15
0.300
CHR-SOS-70e4c98a-3
0.300
DAR-DIA-03336633-9
0.300
SAD-SAT-24589cd1-4
0.300
DAR-DIA-23aa0b97-18
0.299
MAR-TRE-2fd8122f-57
0.299
MAK-UNK-129dcd6f-7
0.298
JOH-IMS-62aeb97d-5
0.297
MAK-UNK-ca11b4f7-1
0.297
ERI-UCB-ce40166b-4
0.297
NAU-LAT-3f5f3993-6
0.296
WIL-UNI-5578df48-12
0.295
KAL-WAB-eb347ebe-1
0.295
MAR-TRE-74c6519b-47
0.295
CHR-SOS-70e4c98a-1
0.293
MAK-UNK-a7b37c5e-5
0.292
MAR-TRE-1c920f6f-42
0.291
MAK-UNK-129dcd6f-1
0.291
DAR-DIA-03336633-7
0.290
PET-UNK-8922bd3c-1
0.289
TAM-UNI-c140e31a-10
0.289
DAR-DIA-842b4336-10
0.288
AAR-UNI-c25c2f1e-33
0.287
CHR-SOS-59746812-1
0.287
RED-SAT-26a928c9-1
0.287
AAR-UNI-c25c2f1e-52
0.287
ANU-UNK-2781581f-1
0.287
ERI-UCB-ce40166b-1
0.287
THO-SYG-cc9e9a11-5
0.286
MAR-TRE-2fd8122f-53
0.286
MAK-UNK-129dcd6f-8
0.286
RAL-MED-2de63afb-3
0.286
MAK-UNK-129dcd6f-17
0.286
AAR-UNI-c25c2f1e-71
0.284
DAR-DIA-23aa0b97-3
0.284
CHR-SOS-59746812-5
0.284
DAR-DIA-03336633-8
0.283
BAR-COM-4e090d3a-66
0.283
BEN-DND-61647d40-5
0.282
WIL-UNI-5578df48-7
0.282