Molecular Properties | |
SMILES: | Cc1ccn2c(-c3ccnc4[nH]ccc34)c(-c3ccc(F)cc3)nc2c1 |
MW: | 342.377 |
Fraction sp3: | 0.05 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 45.98 |
cLogP: | 4.99212 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
ALV-UNI-7ff1a6f9-39
0.624
ALV-UNI-7ff1a6f9-44
0.568
ALV-UNI-7ff1a6f9-15
0.534
ALV-UNI-7ff1a6f9-8
0.512
ALV-UNI-7ff1a6f9-20
0.506
ALV-UNI-7ff1a6f9-13
0.500
ALV-UNI-7ff1a6f9-7
0.500
ALV-UNI-7ff1a6f9-17
0.488
ALV-UNI-7ff1a6f9-18
0.482
ALV-UNI-7ff1a6f9-19
0.482
ALV-UNI-7ff1a6f9-6
0.447
ALV-UNI-7ff1a6f9-16
0.441
ALV-UNI-7ff1a6f9-12
0.432
ALV-UNI-7ff1a6f9-14
0.430
ALV-UNI-7ff1a6f9-38
0.309
ALV-UNI-7ff1a6f9-40
0.302
ALV-UNI-7ff1a6f9-37
0.295
ALV-UNI-7ff1a6f9-41
0.286
ALV-UNI-7ff1a6f9-43
0.278
ALV-UNI-7ff1a6f9-42
0.274
COM-UCB-1ef4e90e-23
0.270
COM-UCB-8c7d23dc-14
0.261
MAR-TRE-c8530538-87
0.243
ALV-UNI-7ff1a6f9-4
0.242
ALV-UNI-7ff1a6f9-26
0.240
ALV-UNI-7ff1a6f9-3
0.235
ALV-UNI-7ff1a6f9-28
0.233
ALV-UNI-7ff1a6f9-34
0.233
ALV-UNI-7ff1a6f9-11
0.231
ALV-UNI-7ff1a6f9-24
0.231
ALV-UNI-7ff1a6f9-22
0.227
ALV-UNI-7ff1a6f9-10
0.225
ALV-UNI-7ff1a6f9-21
0.225
ALV-UNI-7ff1a6f9-27
0.223
MAT-POS-b5746674-121
0.223
WAR-XCH-bdd24732-11
0.222
ALV-UNI-7ff1a6f9-29
0.218
ALV-UNI-7ff1a6f9-36
0.218
ALV-UNI-7ff1a6f9-23
0.216
ALV-UNI-7ff1a6f9-25
0.216
MAT-POS-67c9d7d9-1
0.212
ALV-UNI-7ff1a6f9-5
0.212
VLA-UCB-00f2c2b3-6
0.211
ALV-UNI-7ff1a6f9-2
0.208
ALV-UNI-7ff1a6f9-31
0.207
ALV-UNI-7ff1a6f9-1
0.206
EDJ-MED-b24713dc-1
0.206
ALV-UNI-7ff1a6f9-32
0.202
ALV-UNI-7ff1a6f9-35
0.202
MAR-TRE-3e4e6814-66
0.200
KEI-TRE-d5e2018a-62
0.200
ALV-UNI-7ff1a6f9-30
0.200
MAR-TRE-c8530538-85
0.200
KOV-VNK-5e1a909f-26
0.198
KOV-VNK-5e1a909f-25
0.195
MAR-TRE-c8530538-30
0.195
MAT-POS-51833a24-5
0.193
PET-UNK-5eca9d1d-1
0.193
ALV-UNI-7ff1a6f9-48
0.192
VLA-UCB-00f2c2b3-4
0.191
MAR-TRE-3159af1a-83
0.191
MAT-POS-ea426761-67
0.191
ALV-UNI-7ff1a6f9-33
0.190
RAL-THA-6b94ceba-9
0.189
BEN-VAN-d8fd1356-19
0.189
COM-UCB-8c7d23dc-9
0.186
COM-UCB-1ef4e90e-9
0.186
MAR-TRE-a3327163-85
0.186
RED-RED-10c9212c-21
0.184
KOV-VNK-5e1a909f-56
0.183
BEN-DND-02317c5c-7
0.183
MAR-TRE-fffca54f-42
0.182
VLA-UNK-c3e99b7a-6
0.182
WIL-UNI-d4749f31-17
0.181
RAF-POL-950dada1-7
0.180
WIL-UNI-d4749f31-43
0.179
MAT-POS-ea426761-58
0.179
RAL-THA-901e9a10-2
0.179
BAR-COM-0f94fc3d-56
0.179
SID-ELM-2583a2cd-2
0.179
KEI-TRE-d5e2018a-42
0.179
WIL-UNI-1faa9b10-53
0.179
AGN-NEW-63f62ae9-2
0.178
WAR-XCH-bdd24732-12
0.178
JAR-KUA-8c13982c-5
0.178
MAR-TRE-b77b7921-7
0.176
AAR-UNI-c25c2f1e-54
0.176
EDG-MED-ee636701-2
0.176
DAV-UNK-d94803a2-2
0.175
WAR-XCH-bdd24732-17
0.174
DAR-DIA-5d6f1b43-8
0.174
MAR-TRE-4b834d9a-18
0.174
CAS-DEP-751a2458-6
0.173
MAT-POS-e10a589d-3
0.173
LON-WEI-ff7b210a-2
0.173
WAR-XCH-b0339bbe-1
0.173
TRY-UNI-1fd04853-9
0.173
PET-UNK-e8933450-1
0.172
RED-RED-10c9212c-52
0.172
ALV-UNI-7ff1a6f9-45
0.171