Molecular Properties | |
SMILES: | Cc1cn2c(-c3ccnc4[nH]ccc34)c(-c3ccc(F)cc3)nc2s1 |
MW: | 348.406 |
Fraction sp3: | 0.05 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 45.98 |
cLogP: | 5.05362 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
ALV-UNI-7ff1a6f9-39
0.568
ALV-UNI-7ff1a6f9-9
0.568
ALV-UNI-7ff1a6f9-42
0.532
ALV-UNI-7ff1a6f9-43
0.531
ALV-UNI-7ff1a6f9-6
0.447
ALV-UNI-7ff1a6f9-12
0.432
COM-UCB-1ef4e90e-23
0.292
ALV-UNI-7ff1a6f9-13
0.277
ALV-UNI-7ff1a6f9-15
0.274
ALV-UNI-7ff1a6f9-18
0.273
ALV-UNI-7ff1a6f9-41
0.273
ALV-UNI-7ff1a6f9-8
0.270
ALV-UNI-7ff1a6f9-38
0.270
ALV-UNI-7ff1a6f9-17
0.263
ALV-UNI-7ff1a6f9-40
0.263
COM-UCB-8c7d23dc-14
0.261
ALV-UNI-7ff1a6f9-20
0.258
ALV-UNI-7ff1a6f9-7
0.255
ALV-UNI-7ff1a6f9-37
0.255
ALV-UNI-7ff1a6f9-19
0.248
ALV-UNI-7ff1a6f9-28
0.233
ALV-UNI-7ff1a6f9-11
0.231
ALV-UNI-7ff1a6f9-24
0.231
ALV-UNI-7ff1a6f9-16
0.229
WIL-UNI-2a57d06c-12
0.229
ALV-UNI-7ff1a6f9-26
0.229
ALV-UNI-7ff1a6f9-10
0.225
ALV-UNI-7ff1a6f9-21
0.225
ALV-UNI-7ff1a6f9-27
0.223
WAR-XCH-bdd24732-11
0.222
VLA-UCB-00f2c2b3-6
0.221
ALV-UNI-7ff1a6f9-34
0.221
ALV-UNI-7ff1a6f9-14
0.220
ALV-UNI-7ff1a6f9-29
0.218
ALV-UNI-7ff1a6f9-4
0.218
ALV-UNI-7ff1a6f9-22
0.216
ALV-UNI-7ff1a6f9-25
0.216
MAR-TRE-c8530538-30
0.216
MAT-POS-ea426761-67
0.213
ALV-UNI-7ff1a6f9-5
0.212
MAT-POS-b5746674-121
0.212
ALV-UNI-7ff1a6f9-2
0.208
ALV-UNI-7ff1a6f9-36
0.206
ALV-UNI-7ff1a6f9-1
0.206
ALV-UNI-7ff1a6f9-23
0.205
MAR-TRE-3159af1a-83
0.205
ALV-UNI-7ff1a6f9-32
0.202
ALV-UNI-7ff1a6f9-35
0.202
ALV-UNI-7ff1a6f9-33
0.202
MAR-TRE-a3327163-85
0.198
COM-UCB-8c7d23dc-9
0.197
ALV-UNI-7ff1a6f9-31
0.196
DAV-UNK-d94803a2-2
0.195
WIL-UNI-d4749f31-10
0.195
WAR-XCH-b0339bbe-3
0.193
MAT-POS-ea426761-85
0.190
KEI-TRE-d5e2018a-62
0.190
KOV-VNK-5e1a909f-26
0.189
ALV-UNI-7ff1a6f9-30
0.189
MAR-TRE-3e4e6814-66
0.189
MAT-POS-67c9d7d9-1
0.188
WAR-XCH-bdd24732-12
0.188
MAT-POS-ea426761-86
0.186
ALV-UNI-7ff1a6f9-3
0.186
KOV-VNK-5e1a909f-25
0.186
MAR-TRE-66ac689e-42
0.184
MAT-POS-e10a589d-3
0.184
LON-WEI-ff7b210a-2
0.184
KOV-VNK-5e1a909f-56
0.183
JOH-UNI-6fc75a7c-4
0.183
MAK-UNK-3e0761f8-6
0.183
VLA-UCB-00f2c2b3-4
0.182
GAB-REV-4a4e2ff3-5
0.182
MAR-TRE-fffca54f-42
0.182
MAK-UNK-10572812-15
0.182
VLA-UNK-c3e99b7a-6
0.182
ALP-POS-e980f4ea-65
0.181
WAR-XCH-bdd24732-13
0.181
WIL-UNI-d4749f31-17
0.181
WAR-XCH-b0339bbe-2
0.180
WAR-XCH-79d12f6e-14
0.180
RAF-POL-950dada1-7
0.180
MAT-POS-ea426761-58
0.179
BAR-COM-0f94fc3d-56
0.179
MAR-TRE-66ac689e-94
0.179
KEI-TRE-d5e2018a-42
0.179
LEO-EVO-0d2ed6fc-6
0.179
DRA-CSI-57d71107-2
0.178
DRA-CSI-3ab97369-16
0.178
DAR-DIA-48c639f7-8
0.178
COM-UCB-1ef4e90e-9
0.176
DAR-DIA-48c639f7-7
0.176
BEN-DND-93268d01-5
0.176
COM-UCB-1ef4e90e-21
0.176
MAT-POS-ea426761-59
0.175
ALP-POS-780445ae-3
0.175
COM-UCB-1ef4e90e-22
0.175
JON-UIO-56032f80-7
0.174
MAR-TRE-9c797165-85
0.174
DRA-CSI-7ec17797-7
0.174