Molecular Properties | |
SMILES: | Cc1ccn2c(-c3ccnc4[nH]ccc34)c(-c3ccc(F)cc3)nc2n1 |
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-7ff1a6f9-9
0.624
ALV-UNI-7ff1a6f9-44
0.568
ALV-UNI-7ff1a6f9-38
0.512
ALV-UNI-7ff1a6f9-37
0.500
ALV-UNI-7ff1a6f9-40
0.488
ALV-UNI-7ff1a6f9-41
0.482
ALV-UNI-7ff1a6f9-6
0.447
ALV-UNI-7ff1a6f9-12
0.417
ALV-UNI-7ff1a6f9-13
0.316
ALV-UNI-7ff1a6f9-15
0.298
ALV-UNI-7ff1a6f9-20
0.298
ALV-UNI-7ff1a6f9-8
0.296
ALV-UNI-7ff1a6f9-7
0.281
ALV-UNI-7ff1a6f9-43
0.278
ALV-UNI-7ff1a6f9-17
0.276
ALV-UNI-7ff1a6f9-42
0.274
ALV-UNI-7ff1a6f9-18
0.273
ALV-UNI-7ff1a6f9-19
0.273
ALV-UNI-7ff1a6f9-16
0.264
COM-UCB-1ef4e90e-23
0.259
ALV-UNI-7ff1a6f9-14
0.255
COM-UCB-8c7d23dc-14
0.250
ALV-UNI-7ff1a6f9-28
0.221
ALV-UNI-7ff1a6f9-34
0.221
ALV-UNI-7ff1a6f9-24
0.219
ALV-UNI-7ff1a6f9-11
0.219
ALV-UNI-7ff1a6f9-4
0.218
ALV-UNI-7ff1a6f9-26
0.217
ALV-UNI-7ff1a6f9-10
0.214
MAT-POS-b5746674-121
0.212
ALV-UNI-7ff1a6f9-27
0.212
ALV-UNI-7ff1a6f9-5
0.212
ALV-UNI-7ff1a6f9-2
0.208
ALV-UNI-7ff1a6f9-29
0.207
ALV-UNI-7ff1a6f9-36
0.206
ALV-UNI-7ff1a6f9-22
0.205
MAR-TRE-3159af1a-83
0.205
ALV-UNI-7ff1a6f9-25
0.204
ALV-UNI-7ff1a6f9-21
0.204
ALV-UNI-7ff1a6f9-35
0.202
ALV-UNI-7ff1a6f9-32
0.202
VLA-UCB-00f2c2b3-6
0.202
WAR-XCH-bdd24732-11
0.200
ALV-UNI-7ff1a6f9-3
0.198
ALV-UNI-7ff1a6f9-31
0.196
ALV-UNI-7ff1a6f9-23
0.195
ALV-UNI-7ff1a6f9-1
0.194
ALV-UNI-7ff1a6f9-33
0.190
ALV-UNI-7ff1a6f9-30
0.189
COM-UCB-8c7d23dc-9
0.186
KOV-VNK-5e1a909f-25
0.186
KOV-VNK-5e1a909f-56
0.183
VLA-UCB-00f2c2b3-4
0.182
MAR-TRE-fffca54f-42
0.182
MAR-TRE-a3327163-93
0.181
RAF-POL-950dada1-7
0.180
KEI-TRE-d5e2018a-62
0.179
MAR-TRE-3e4e6814-66
0.179
COM-UCB-1ef4e90e-9
0.176
MAT-POS-ea426761-59
0.175
MAR-TRE-c8530538-30
0.175
DAV-UNK-d94803a2-2
0.175
MAT-POS-b5746674-67
0.174
WIL-UNI-2a57d06c-15
0.174
MAR-TRE-a3327163-85
0.173
LON-WEI-ff7b210a-2
0.173
MAR-TRE-66ac689e-42
0.173
MAT-POS-e10a589d-3
0.173
KOV-VNK-5e1a909f-26
0.172
ALV-UNI-7ff1a6f9-48
0.170
MAT-POS-ea426761-67
0.170
MAR-TRE-66ac689e-94
0.168
KEI-TRE-d5e2018a-42
0.168
RED-RED-10c9212c-10
0.168
MAR-TRE-fffca54f-77
0.168
ALP-POS-305f6ec3-8
0.168
MAR-TRE-c8530538-87
0.167
STE-DES-31efaedb-1
0.167
COM-UCB-1ef4e90e-22
0.165
SID-ELM-b654bfa2-11
0.165
BEN-DND-93268d01-5
0.165
MAT-POS-67c9d7d9-1
0.165
VLA-UNK-c3e99b7a-6
0.164
MAR-TRE-4b834d9a-18
0.164
DRA-CSI-7ec17797-7
0.164
MAR-TRE-6c5ef77a-32
0.164
WAR-XCH-bdd24732-17
0.164
DAR-DIA-0d514e7d-13
0.163
WIL-UNI-d4749f31-15
0.162
WAR-XCH-b0339bbe-1
0.162
CAS-DEP-751a2458-6
0.162
MAR-TRE-3159af1a-1
0.161
WAR-XCH-bdd24732-10
0.161
TRY-UNI-9f475305-4
0.161
MAR-TRE-f5c2d31c-24
0.161
DAR-DIA-d6e5861b-3
0.161
ALP-POS-95f71980-35
0.161
DAR-DIA-d6e5861b-7
0.161
MAR-TRE-be9ff7d2-84
0.160
MAT-POS-ea426761-58
0.160