Molecular Properties | |
SMILES: | Cc1cnc2c(-c3cc(C)n[nH]3)c(-c3ccc(F)cc3)nn2c1 |
MW: | 307.332 |
Fraction sp3: | 0.12 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 58.87 |
cLogP: | 3.54234 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
ALV-UNI-7ff1a6f9-27
0.597
ALV-UNI-7ff1a6f9-25
0.592
ALV-UNI-7ff1a6f9-22
0.590
ALV-UNI-7ff1a6f9-10
0.583
ALV-UNI-7ff1a6f9-24
0.581
ALV-UNI-7ff1a6f9-26
0.573
ALV-UNI-7ff1a6f9-11
0.560
ALV-UNI-7ff1a6f9-23
0.550
ALV-UNI-7ff1a6f9-21
0.524
ALV-UNI-7ff1a6f9-12
0.506
ALV-UNI-7ff1a6f9-36
0.455
ALV-UNI-7ff1a6f9-20
0.370
ALV-UNI-7ff1a6f9-1
0.349
ALV-UNI-7ff1a6f9-35
0.326
ALV-UNI-7ff1a6f9-30
0.315
ALV-UNI-7ff1a6f9-33
0.310
ALV-UNI-7ff1a6f9-31
0.309
ALV-UNI-7ff1a6f9-34
0.303
ALV-UNI-7ff1a6f9-32
0.295
ALV-UNI-7ff1a6f9-5
0.292
ALV-UNI-7ff1a6f9-2
0.291
ALV-UNI-7ff1a6f9-29
0.281
ALV-UNI-7ff1a6f9-19
0.278
ALV-UNI-7ff1a6f9-6
0.276
ALV-UNI-7ff1a6f9-18
0.264
ALV-UNI-7ff1a6f9-4
0.258
ALV-UNI-7ff1a6f9-14
0.258
ALV-UNI-7ff1a6f9-43
0.256
ALV-UNI-7ff1a6f9-13
0.255
ALV-UNI-7ff1a6f9-16
0.255
ALV-UNI-7ff1a6f9-17
0.253
ALV-UNI-7ff1a6f9-41
0.250
ALV-UNI-7ff1a6f9-42
0.250
ALV-UNI-7ff1a6f9-8
0.247
ALV-UNI-7ff1a6f9-7
0.244
ALV-UNI-7ff1a6f9-15
0.240
ALV-UNI-7ff1a6f9-40
0.239
MAT-POS-b5746674-121
0.237
ALV-UNI-7ff1a6f9-38
0.234
ALV-UNI-7ff1a6f9-9
0.233
ALV-UNI-7ff1a6f9-44
0.233
ALV-UNI-7ff1a6f9-37
0.231
MAR-TRE-a3327163-85
0.224
ALV-UNI-7ff1a6f9-39
0.221
DRV-DNY-3e405af9-4
0.212
MAR-TRE-3e4e6814-66
0.210
VID-DNY-1d288c6c-11
0.208
VID-DNY-1d288c6c-10
0.208
DRV-DNY-3e405af9-9
0.207
GAB-REV-df64cf17-8
0.206
DRV-DNY-3e405af9-1
0.204
MAR-TRE-4b834d9a-18
0.202
MAR-TRE-f5c2d31c-24
0.200
DRV-DNY-3e405af9-5
0.200
MAT-POS-b5746674-39
0.198
MAR-TRE-7f7bb9f0-93
0.196
VID-DNY-1d288c6c-5
0.196
ALV-UNI-7ff1a6f9-3
0.196
VID-DNY-1d288c6c-12
0.194
VID-DNY-1d288c6c-9
0.194
DRV-DNY-3e405af9-6
0.194
MAR-TRE-b77b7921-7
0.193
DAV-UNK-d94803a2-2
0.193
WIL-UNI-d4749f31-15
0.190
MAT-POS-b5746674-57
0.188
KEI-TRE-d5e2018a-62
0.187
MAT-POS-162a9720-10
0.186
KOV-VNK-5e1a909f-25
0.183
MAR-TRE-74c6519b-30
0.182
MAR-TRE-f6f5f473-17
0.182
DRV-DNY-3e405af9-2
0.182
MAR-TRE-d0525fbf-70
0.181
WIL-UNI-2a57d06c-20
0.181
JOH-IMS-54aa76a2-7
0.181
MAR-TRE-04c86cea-73
0.180
KOV-VNK-5e1a909f-56
0.180
KOV-VNK-5e1a909f-26
0.177
DRV-DNY-3e405af9-3
0.175
WAR-XCH-bdd24732-11
0.175
MAR-TRE-74c6519b-67
0.174
MAR-TRE-3724962b-29
0.174
BEN-VAN-d8fd1356-19
0.173
MAR-TRE-4b834d9a-14
0.173
MAR-TRE-d0525fbf-7
0.172
MAR-TRE-b77b7921-21
0.172
GER-UNI-05c7e912-1
0.172
BEN-VAN-c986b20b-2
0.172
MAT-POS-ea426761-57
0.172
MAT-POS-ea426761-59
0.171
BEN-VAN-c986b20b-6
0.171
PAU-UNI-589039f7-1
0.171
PAU-UNI-d269d79c-2
0.171
ALP-POS-95b75b4d-1
0.170
TIM-UNK-4ca1325a-1
0.170
JON-UIO-56032f80-7
0.170
MAR-TRE-d0525fbf-67
0.170
VLA-UNK-c3e99b7a-6
0.169
MAK-UNK-5e88aa6a-14
0.169
LON-WEI-ff7b210a-2
0.168
MAT-POS-e10a589d-3
0.168