Molecular Properties | |
SMILES: | CC1C(C)N(c2ccc(C#N)nc2)CCN1C |
MW: | 230.315 |
Fraction sp3: | 0.54 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 43.16 |
cLogP: | 1.48208 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
JOH-UNI-522b0723-2
0.552
JOH-UNI-522b0723-5
0.542
JOH-UNI-522b0723-4
0.534
JOH-UNI-522b0723-3
0.500
JOH-UNI-522b0723-1
0.483
AAR-POS-d2a4d1df-19
0.364
MAK-UNK-9955b1f3-10
0.266
MAK-UNK-9955b1f3-17
0.262
MAK-UNK-9955b1f3-9
0.250
MAK-UNK-9955b1f3-5
0.250
MAR-TRE-a3327163-91
0.244
JOH-UNI-522b0723-13
0.242
MAK-UNK-9955b1f3-8
0.239
MAK-UNK-9955b1f3-11
0.239
JOH-UNI-522b0723-7
0.239
JOH-UNI-9dc98897-3
0.237
JOH-UNI-522b0723-9
0.233
JOH-UNI-522b0723-12
0.231
MAK-UNK-9955b1f3-6
0.225
JOH-UNI-9dc98897-1
0.221
JOH-UNI-9dc98897-8
0.215
JOH-UNI-9dc98897-7
0.212
JOH-UNI-9dc98897-2
0.210
MAK-UNK-9955b1f3-7
0.208
JOH-UNI-9dc98897-6
0.208
MAK-UNK-9955b1f3-12
0.208
ABI-SAT-95eab675-1
0.208
MAK-UNK-9955b1f3-13
0.207
JOH-UNI-522b0723-8
0.204
ABI-SAT-aa268ad7-6
0.203
JOH-UNI-522b0723-11
0.202
JOH-UNI-9dc98897-5
0.200
JOH-UNI-9dc98897-10
0.200
BEN-VAN-77cef4f8-8
0.200
DAR-DIA-bd041b9b-26
0.198
JOH-UNI-9dc98897-4
0.198
AAR-RCN-67438d21-1
0.197
BEN-VAN-77cef4f8-9
0.196
FAB-NA_-a0010840-1
0.194
MAK-UNK-7732b35b-1
0.193
MAR-TRE-1c920f6f-10
0.193
JOH-UNI-9dc98897-9
0.192
KTA-UNK-dac325de-1
0.191
ARI-TAT-5792557e-12
0.191
BEN-VAN-77cef4f8-11
0.189
TRY-UNI-9f475305-2
0.188
BEN-VAN-77cef4f8-12
0.188
MAK-UNK-ed378e62-6
0.186
AAR-RCN-9c8a34f0-1
0.186
MAR-TRE-1c920f6f-76
0.186
UNK-CYC-68f84b31-27
0.185
ABI-SAT-aa268ad7-7
0.183
JAN-UNI-2e92c4b1-3
0.183
PET-SGC-39d74636-2
0.183
RIT-AID-1c9a4e61-1
0.183
IND-SYN-2c708b29-1
0.182
MAR-TRE-6c5ef77a-36
0.182
JOH-UNI-abdb2f0c-2
0.182
WAR-XCH-b6889685-15
0.181
VIK-SYN-9a3d118a-8
0.181
MAK-UNK-ed378e62-43
0.179
ABI-SAT-aa268ad7-5
0.179
MAT-UNK-673d6610-1
0.178
AAR-POS-0daf6b7e-26
0.178
MAK-UNK-6435e6c2-9
0.178
NIR-THE-0d6461ce-6
0.178
JOH-UNI-522b0723-10
0.178
BEN-VAN-77cef4f8-7
0.178
MAK-UNK-acefcb18-17
0.177
MAR-TRE-0fda4e82-95
0.177
MAK-UNK-af83ef51-25
0.176
MAT-POS-ea426761-26
0.176
MAK-UNK-ed378e62-2
0.175
AAR-RCN-ec065b93-1
0.175
ABI-SAT-aa268ad7-10
0.175
FAB-NA_-a0010840-3
0.175
STE-UNK-28609fce-1
0.175
LON-WEI-adc59df6-95
0.175
MAR-UNI-9d4da90d-6
0.175
MAR-TRE-6c5ef77a-70
0.175
WAR-XCH-b72a1bbc-23
0.173
MAR-TRE-0fda4e82-71
0.173
MAK-UNK-ca11b4f7-4
0.172
JOH-UNI-abdb2f0c-4
0.172
WAR-XCH-b72a1bbc-34
0.172
MAK-UNK-9955b1f3-1
0.172
FAB-NA_-a0010840-2
0.172
MAR-TRE-3159af1a-92
0.172
MAK-UNK-ec98eaf6-22
0.172
MAK-UNK-af83ef51-23
0.171
MAR-TRE-6c5ef77a-95
0.171
GIA-UNK-30c7cb75-1
0.171
RAF-POL-950dada1-9
0.171
WAR-XCH-b72a1bbc-17
0.171
RAF-POL-950dada1-5
0.171
MAR-TRE-c317dd82-64
0.170
RAJ-NOV-842d5654-3
0.170
COM-UCB-8c7d23dc-16
0.170
JAC-SHE-cfe9e938-1
0.170
WIL-UNI-354943b6-2
0.170