Molecular Properties | |
SMILES: | N#Cc1ccccc1CNC1(C#Cc2cccnc2)CCCCC1 |
MW: | 315.42 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 48.71 |
cLogP: | 3.79748 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
triple bond
WAR-XCH-b0339bbe-13
0.610
WAR-XCH-b0339bbe-8
0.551
CHR-SOS-6c45c019-2
0.407
CHR-SOS-6c45c019-5
0.370
CHR-SOS-6c45c019-8
0.363
CHR-SOS-b301fc01-2
0.356
CHR-SOS-6c45c019-11
0.341
WAR-XCH-bdd24732-9
0.330
MAK-UNK-ca11b4f7-4
0.303
WAR-XCH-bdd24732-8
0.299
MAR-TRE-a78003aa-46
0.293
WAR-XCH-e55cba98-13
0.283
CHR-SOS-6c45c019-3
0.283
MAR-TRE-0fda4e82-32
0.277
ANT-DIA-3c79be55-2
0.276
CHR-SOS-b301fc01-5
0.276
WAR-XCH-bdd24732-45
0.269
CHR-SOS-b301fc01-3
0.268
MAK-UNK-6ca90168-9
0.267
RAL-THA-2d450e86-40
0.263
WAR-XCH-79d12f6e-2
0.261
WAR-XCH-79d12f6e-11
0.258
CHR-SOS-59746812-5
0.255
WAR-XCH-b0339bbe-1
0.255
CHR-SOS-6c45c019-1
0.250
CHR-SOS-6c45c019-6
0.250
GAB-REV-4a4e2ff3-13
0.248
CHR-SOS-59746812-6
0.247
CHR-SOS-b301fc01-1
0.245
CHR-SOS-54d5cf3e-7
0.245
MAR-TRE-14ce9fd6-87
0.244
WAR-XCH-b0339bbe-16
0.242
CHR-SOS-6c45c019-9
0.242
CHR-SOS-54d5cf3e-6
0.240
PET-SGC-1fc12be1-1
0.239
PRA-FNM-52fd7fdf-1
0.238
CHR-SOS-54d5cf3e-8
0.238
CHR-SOS-59746812-4
0.238
WAR-XCH-72a8c209-6
0.238
CHR-SOS-70e4c98a-1
0.237
BEN-DND-61647d40-9
0.237
MAR-TRE-0fda4e82-9
0.237
ANN-UNI-26382800-5
0.237
MAT-GIT-deadff56-4
0.236
MED-UNK-e6e8ef8a-6
0.236
MAK-UNK-30aad1f1-1
0.236
WAR-XCH-e55cba98-1
0.235
WAR-XCH-79d12f6e-8
0.234
JOR-UNI-61e7b1d5-20
0.234
CHR-SOS-54d5cf3e-5
0.234
CHR-SOS-b301fc01-6
0.233
MAR-TRE-a3327163-73
0.233
CHR-SOS-f7373dd1-1
0.232
CHR-SOS-59746812-1
0.232
BEN-DND-61647d40-7
0.232
JOR-UNI-61e7b1d5-18
0.231
DAV-CRI-1c77f7a9-3
0.231
DAR-DIA-842b4336-9
0.231
MAR-TRE-04c86cea-76
0.231
CHR-SOS-b301fc01-7
0.231
MAR-TRE-a3327163-55
0.231
CHA-KIN-ceadbd93-5
0.229
MAR-TRE-14ce9fd6-63
0.227
MAR-TRE-04c86cea-81
0.227
CHR-SOS-b301fc01-4
0.226
DAR-DIA-23aa0b97-4
0.226
DAR-DIA-23aa0b97-6
0.226
BEN-DND-61647d40-8
0.226
CHR-SOS-f7373dd1-2
0.226
WAR-XCH-72a8c209-11
0.225
MAR-TRE-14ce9fd6-42
0.225
MAR-TRE-b77b7921-52
0.225
WAR-XCH-b0339bbe-6
0.225
MAK-UNK-a7b37c5e-1
0.225
CHR-SOS-54d5cf3e-4
0.224
CHR-SOS-6c45c019-13
0.224
CHR-SOS-59746812-2
0.223
DAR-DIA-bd041b9b-26
0.223
DAR-DIA-23aa0b97-17
0.223
CHR-SOS-f7373dd1-4
0.223
CHR-SOS-363cfb78-3
0.223
CHR-SOS-70e4c98a-12
0.222
CHR-SOS-6c45c019-12
0.222
MED-UNK-e6e8ef8a-7
0.222
MAR-TRE-2fd8122f-69
0.221
MAR-TRE-f6f5f473-52
0.220
CHR-SOS-f7373dd1-3
0.220
CHR-SOS-70e4c98a-2
0.219
CHR-SOS-6c45c019-4
0.219
STE-UNK-dfade101-1
0.218
JOR-UNI-61e7b1d5-12
0.218
WAR-XCH-79d12f6e-5
0.218
MAT-POS-02ae579f-2
0.218
CHR-SOS-f7373dd1-5
0.217
NAU-LAT-445f63e5-4
0.217
CHR-SOS-54d5cf3e-2
0.217
MAR-TRE-04c86cea-26
0.217
MAR-TRE-a3327163-5
0.217
CHR-SOS-e960e883-1
0.217
CHR-SOS-54d5cf3e-1
0.217