Molecular Properties | |
SMILES: | Cc1cnc2c(-c3ccnc4[nH]ccc34)c(-c3ccc(F)cc3)nn2c1 |
MW: | 343.365 |
Fraction sp3: | 0.05 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 58.87 |
cLogP: | 4.38712 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
ALV-UNI-7ff1a6f9-21
0.558
ALV-UNI-7ff1a6f9-6
0.540
ALV-UNI-7ff1a6f9-10
0.537
ALV-UNI-7ff1a6f9-11
0.537
ALV-UNI-7ff1a6f9-27
0.531
ALV-UNI-7ff1a6f9-26
0.530
ALV-UNI-7ff1a6f9-25
0.525
ALV-UNI-7ff1a6f9-24
0.518
ALV-UNI-7ff1a6f9-28
0.506
ALV-UNI-7ff1a6f9-23
0.462
ALV-UNI-7ff1a6f9-22
0.462
ALV-UNI-7ff1a6f9-44
0.432
ALV-UNI-7ff1a6f9-9
0.432
ALV-UNI-7ff1a6f9-39
0.417
ALV-UNI-7ff1a6f9-1
0.315
ALV-UNI-7ff1a6f9-35
0.281
ALV-UNI-7ff1a6f9-5
0.278
ALV-UNI-7ff1a6f9-34
0.276
ALV-UNI-7ff1a6f9-29
0.269
ALV-UNI-7ff1a6f9-33
0.268
COM-UCB-8c7d23dc-14
0.265
ALV-UNI-7ff1a6f9-2
0.263
ALV-UNI-7ff1a6f9-32
0.255
MAT-POS-b5746674-121
0.253
COM-UCB-1ef4e90e-23
0.252
ALV-UNI-7ff1a6f9-36
0.247
ALV-UNI-7ff1a6f9-4
0.247
ALV-UNI-7ff1a6f9-31
0.245
ALV-UNI-7ff1a6f9-43
0.245
ALV-UNI-7ff1a6f9-30
0.238
ALV-UNI-7ff1a6f9-8
0.238
ALV-UNI-7ff1a6f9-38
0.225
ALV-UNI-7ff1a6f9-13
0.221
ALV-UNI-7ff1a6f9-19
0.216
ALV-UNI-7ff1a6f9-18
0.216
ALV-UNI-7ff1a6f9-42
0.214
ALV-UNI-7ff1a6f9-20
0.212
ALV-UNI-7ff1a6f9-7
0.210
ALV-UNI-7ff1a6f9-15
0.209
MAR-TRE-b77b7921-7
0.208
MAR-TRE-04c86cea-73
0.207
MAR-TRE-4b834d9a-18
0.207
ALV-UNI-7ff1a6f9-17
0.206
VLA-UCB-00f2c2b3-6
0.205
ALV-UNI-7ff1a6f9-41
0.204
MAR-TRE-a3327163-85
0.202
ALV-UNI-7ff1a6f9-16
0.200
MAR-TRE-f6f5f473-17
0.198
MAR-TRE-74c6519b-30
0.198
ALV-UNI-7ff1a6f9-37
0.198
ALV-UNI-7ff1a6f9-40
0.194
KEI-TRE-d5e2018a-62
0.193
RAL-THA-6b94ceba-9
0.193
MAR-TRE-3e4e6814-66
0.193
MAR-TRE-7f7bb9f0-93
0.191
ALV-UNI-7ff1a6f9-14
0.191
MAR-TRE-4b834d9a-14
0.190
JON-UIO-56032f80-7
0.189
MAR-TRE-66ac689e-42
0.188
DAV-UNK-d94803a2-2
0.188
WIL-UNI-d4749f31-15
0.186
MAK-UNK-9e4a73aa-34
0.185
VLA-UCB-00f2c2b3-4
0.185
DRV-DNY-3e405af9-4
0.184
MAR-TRE-f5c2d31c-24
0.184
NEH-REV-83a5a839-1
0.183
MAR-TRE-4b834d9a-11
0.183
MAR-TRE-3159af1a-83
0.182
MAR-TRE-d0525fbf-66
0.182
BEN-VAN-d8fd1356-19
0.181
BEN-DND-93268d01-5
0.180
KOV-VNK-5e1a909f-25
0.180
COM-UCB-8c7d23dc-9
0.179
MAK-UNK-9e4a73aa-33
0.179
MAT-POS-ea426761-59
0.179
MAR-TRE-4b834d9a-38
0.179
GAB-REV-df64cf17-8
0.179
ALV-UNI-7ff1a6f9-3
0.178
COM-UCB-1ef4e90e-22
0.178
MAR-TRE-d0525fbf-70
0.177
CAS-DEP-751a2458-6
0.177
MAR-TRE-f6f5f473-54
0.176
MAR-TRE-9c797165-85
0.176
MAR-TRE-d0525fbf-88
0.176
MAK-UNK-10572812-15
0.176
MAR-TRE-fffca54f-42
0.174
KOV-VNK-5e1a909f-26
0.174
TRY-UNI-9f475305-4
0.174
DRV-DNY-3e405af9-5
0.174
GAB-UNA-73b7ed31-1
0.174
AUS-ARG-7cfdce8f-6
0.173
MAR-TRE-66ac689e-85
0.173
MAK-UNK-10572812-14
0.173
NIC-BIO-174c9b04-3
0.173
HUB-UNK-9845d277-14
0.173
MAR-TRE-04c86cea-88
0.172
MAR-TRE-74c6519b-70
0.172
RAF-POL-950dada1-7
0.172
MAK-UNK-10572812-10
0.172
KEI-TRE-d5e2018a-42
0.171