Molecular Properties | |
SMILES: | N#CC1CCCC(c2nc3ccccc3s2)C1 |
MW: | 242.347 |
Fraction sp3: | 0.43 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 36.68 |
cLogP: | 4.09368 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-33
JOO-IND-b13e14cc-3
0.429
AAR-POS-d2a4d1df-30
0.427
TAT-ENA-80bfd3e5-13
0.427
JOO-IND-b13e14cc-1
0.427
JOO-IND-b13e14cc-2
0.416
MAR-TRE-6a44bbf2-53
0.411
MAK-UNK-7c9d1431-25
0.411
AHN-SAT-02ef6d10-4
0.411
WAR-XCH-b72a1bbc-8
0.395
AHN-SAT-02ef6d10-1
0.372
JAR-IMP-ed466bb3-15
0.343
MAR-TRE-1c920f6f-99
0.343
SAD-SAT-f0a2747f-2
0.319
MAK-UNK-3f402c2b-8
0.313
RAM-SYN-2a37ce6c-7
0.308
JOO-IND-b2fae8f6-1
0.293
JOO-IND-b2fae8f6-2
0.293
IND-SYN-6c8299e8-3
0.292
RAM-SYN-2a37ce6c-6
0.290
MAR-TRE-14ce9fd6-84
0.286
MAR-TRE-14ce9fd6-66
0.271
AAR-UNI-c25c2f1e-69
0.250
MAR-TRE-a3327163-16
0.244
MAR-TRE-6a44bbf2-64
0.244
WIL-UNI-2a57d06c-21
0.239
VLA-UNK-c3e99b7a-5
0.238
MAK-UNK-9b4e5ff2-6
0.235
MAR-TRE-fd17a9b8-54
0.232
MAT-POS-ea426761-92
0.226
WIL-UNI-2a57d06c-43
0.226
WIL-UNI-2a57d06c-11
0.223
LON-WEI-5e7d1b3e-30
0.222
LON-WEI-4d77710c-30
0.222
MAT-POS-ea426761-82
0.220
LON-WEI-ff7b210a-8
0.220
SAD-SAT-89668ff1-7
0.220
AAR-UNI-c25c2f1e-20
0.217
AAR-UNI-c25c2f1e-76
0.215
MAR-TRE-8190bb11-35
0.215
AHN-SAT-324b361c-1
0.213
WAR-XCH-bdd24732-34
0.211
WIL-UNI-2a57d06c-39
0.211
MAR-LAB-ff9967db-1
0.209
ALP-UNI-ed5cdfd2-8
0.208
WIL-UNI-d4749f31-34
0.206
AAR-UNI-c25c2f1e-86
0.206
ABI-SAT-128a7dc3-10
0.203
SEA-TRI-f744d433-1
0.198
WIL-UNI-d4749f31-35
0.198
WAR-XCH-b6889685-50
0.192
ABI-SAT-aa268ad7-7
0.187
MAT-POS-ea426761-5
0.186
MAR-TRE-14ce9fd6-40
0.186
MAR-LAB-ff9967db-2
0.185
ABI-SAT-95eab675-6
0.185
WIL-UNI-2a57d06c-36
0.184
ABI-SAT-128a7dc3-9
0.183
IND-SYN-6c8299e8-1
0.178
JOO-PER-74f994a9-1
0.177
MAR-TRE-6c5ef77a-39
0.175
MAK-UNK-95198336-1
0.173
MAR-TRE-14ce9fd6-95
0.173
MAR-TRE-85681e92-75
0.171
WIL-UNI-d4749f31-25
0.170
MAK-UNK-ed378e62-27
0.169
ALP-POS-fe871b40-2
0.168
PAU-UNI-b6a619a1-1
0.168
MAR-TRE-14ce9fd6-44
0.167
MAR-TRE-14ce9fd6-47
0.167
MAR-TRE-14ce9fd6-46
0.167
MAK-UNK-be3f299e-6
0.167
MAK-UNK-c749d764-19
0.167
MAK-UNK-c749d764-24
0.167
JAR-KUA-672ec752-12
0.167
MAK-UNK-198e6d85-4
0.165
PAU-UNI-b33c5197-1
0.165
PET-UNK-3e354a91-1
0.165
UNK-UNK-2ede4078-78
0.165
SAD-SAT-cefd50cc-6
0.165
MAR-TRE-a3327163-13
0.165
MAR-TRE-14ce9fd6-24
0.165
MAR-TRE-aca67d11-28
0.165
MAR-TRE-14ce9fd6-87
0.165
DAV-CRI-f9b12666-9
0.164
ALP-POS-d054b76b-4
0.164
MAR-TRE-1c920f6f-77
0.163
DAV-CRI-f9b12666-3
0.163
ABI-SAT-aa268ad7-8
0.163
RED-RED-10c9212c-30
0.162
WAR-XCH-b0339bbe-8
0.161
LON-WEI-4d77710c-70
0.161
LON-WEI-5e7d1b3e-70
0.161
MAK-UNK-a7992eb3-12
0.161
WAR-XCH-bdd24732-14
0.161
LYN-UNI-0d9431a4-6
0.160
MAT-POS-ea426761-89
0.160
DAV-CRI-f9b12666-10
0.159
MAR-TRE-aca67d11-18
0.159
AAR-POS-0daf6b7e-25
0.159
MAR-TRE-1c920f6f-51
0.158