Molecular Properties | |
SMILES: | Cc1ccc2c(-c3cnn(C)c3)c(-c3ccc(F)cc3)nn2n1 |
MW: | 307.332 |
Fraction sp3: | 0.12 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 48.01 |
cLogP: | 3.24432 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
ALV-UNI-7ff1a6f9-2
0.627
ALV-UNI-7ff1a6f9-35
0.623
ALV-UNI-7ff1a6f9-5
0.614
ALV-UNI-7ff1a6f9-32
0.600
ALV-UNI-7ff1a6f9-34
0.583
ALV-UNI-7ff1a6f9-30
0.566
ALV-UNI-7ff1a6f9-31
0.551
ALV-UNI-7ff1a6f9-36
0.549
ALV-UNI-7ff1a6f9-29
0.494
ALV-UNI-7ff1a6f9-25
0.480
ALV-UNI-7ff1a6f9-6
0.464
ALV-UNI-7ff1a6f9-18
0.361
ALV-UNI-7ff1a6f9-41
0.361
ALV-UNI-7ff1a6f9-1
0.341
ALV-UNI-7ff1a6f9-24
0.337
ALV-UNI-7ff1a6f9-28
0.310
ALV-UNI-7ff1a6f9-26
0.303
ALV-UNI-7ff1a6f9-10
0.302
ALV-UNI-7ff1a6f9-27
0.299
ALV-UNI-7ff1a6f9-22
0.298
ALV-UNI-7ff1a6f9-11
0.292
ALV-UNI-7ff1a6f9-23
0.284
ALV-UNI-7ff1a6f9-12
0.268
ALV-UNI-7ff1a6f9-21
0.268
MAR-TRE-a3327163-85
0.259
WIL-UNI-2a57d06c-22
0.250
ALV-UNI-7ff1a6f9-43
0.247
ALV-UNI-7ff1a6f9-17
0.244
ALV-UNI-7ff1a6f9-40
0.244
ALV-UNI-7ff1a6f9-42
0.241
ALV-UNI-7ff1a6f9-20
0.239
ALV-UNI-7ff1a6f9-13
0.234
ALV-UNI-7ff1a6f9-19
0.228
MAT-POS-b5746674-121
0.228
ALV-UNI-7ff1a6f9-8
0.226
ALV-UNI-7ff1a6f9-38
0.226
ALV-UNI-7ff1a6f9-14
0.224
MAT-POS-b5746674-57
0.224
ALV-UNI-7ff1a6f9-37
0.222
ALV-UNI-7ff1a6f9-4
0.222
ALV-UNI-7ff1a6f9-7
0.222
WIL-UNI-d4749f31-24
0.218
ALV-UNI-7ff1a6f9-3
0.213
ALV-UNI-7ff1a6f9-16
0.210
ALV-UNI-7ff1a6f9-15
0.208
ALV-UNI-7ff1a6f9-44
0.202
MAR-TRE-c317dd82-97
0.198
MAR-TRE-b77b7921-7
0.196
MAR-TRE-66ac689e-100
0.196
MAR-TRE-04c86cea-73
0.194
KUS-THE-322b9b63-13
0.194
SAN-PRS-3c4a6997-3
0.191
ALV-UNI-7ff1a6f9-9
0.190
ALV-UNI-7ff1a6f9-39
0.190
MAR-TRE-1c920f6f-79
0.190
MAT-POS-162a9720-10
0.190
MAR-TRE-e82e6c98-31
0.189
MAR-TRE-a9136c7b-77
0.189
MAR-LAB-ff9967db-20
0.188
WIL-UNI-d4749f31-3
0.187
ALP-POS-305f6ec3-30
0.186
MAR-TRE-74c6519b-30
0.185
MAR-TRE-f6f5f473-17
0.185
DAV-UNK-d94803a2-2
0.185
DAR-DIA-842b4336-11
0.184
RAI-NOV-2f6a9876-4
0.184
MAR-TRE-4b834d9a-18
0.183
WIL-UNI-d4749f31-15
0.183
MAR-TRE-d0525fbf-97
0.183
UNK-UNK-2ede4078-57
0.182
MAR-TRE-66ac689e-85
0.181
BRU-THA-92256091-90
0.180
LYN-UNI-b265e4fd-2
0.180
KEI-TRE-d5e2018a-62
0.179
ALP-POS-a3de0cb1-5
0.179
LYN-UNI-b265e4fd-5
0.179
MAR-TRE-d0525fbf-66
0.179
MAR-TRE-3e4e6814-66
0.178
MAR-TRE-7f7bb9f0-93
0.178
KOV-VNK-5e1a909f-25
0.176
MAK-UNK-902cc841-6
0.176
MAT-POS-ea426761-91
0.176
MAR-TRE-92684b97-75
0.176
MAT-POS-c88128cb-13
0.175
VID-DNY-1d288c6c-11
0.175
DAR-DIA-842b4336-23
0.175
KEI-TRE-fa9ada3e-16
0.174
BAR-COM-4e090d3a-62
0.173
MAR-TRE-9c797165-35
0.173
AAR-UNI-c25c2f1e-70
0.173
MAT-POS-b5746674-126
0.173
AAR-UNI-c25c2f1e-84
0.173
MAN-SYN-45e45961-5
0.173
AAR-UNI-c25c2f1e-34
0.173
MAR-TRE-d0525fbf-88
0.173
MAT-POS-e10a589d-3
0.172
JAG-UCB-a3ef7265-4
0.172
LON-WEI-ff7b210a-2
0.172
DRV-DNY-3e405af9-1
0.172
MAR-TRE-3159af1a-18
0.171