Molecular Properties | |
SMILES: | O=C(c1cncc2ccc(F)cc12)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 |
MW: | 417.08 |
Fraction sp3: | 0.24 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 36.44 |
cLogP: | 4.64 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JUL-TUD-06b2044f-73
0.713
JUL-TUD-06b2044f-74
0.547
JUL-TUD-06b2044f-126
0.389
MAT-POS-54c4bf04-3
0.371
JUL-TUD-06b2044f-57
0.363
JUL-TUD-06b2044f-128
0.340
JUL-TUD-06b2044f-112
0.337
MIC-UNK-b9827f26-4
0.327
EDJ-MED-b6c6ee2b-6
0.325
EDG-MED-b1ef7fe3-2
0.325
MIC-UNK-b9827f26-3
0.324
ERI-UCB-d6de1f3c-2
0.324
MIC-UNK-b9827f26-2
0.320
JUL-TUD-06b2044f-119
0.320
JUL-TUD-06b2044f-29
0.320
JUL-TUD-06b2044f-30
0.316
JUL-TUD-06b2044f-136
0.316
MAR-UCB-f313ec4d-6
0.316
MAT-POS-8293a91a-8
0.315
ALP-POS-ce760d3f-5
0.315
LUO-POS-b4dec3be-2
0.311
MIK-ENA-610c7cf9-1
0.311
MAT-POS-b4d6b7fc-5
0.311
LUO-POS-b4dec3be-1
0.311
MIK-ENA-4bb8c98f-1
0.311
MIC-UNK-b9827f26-1
0.311
MAT-POS-c88128cb-12
0.310
MIC-UNK-b9827f26-5
0.309
MAT-POS-a334828f-3
0.308
PET-UNK-49566573-4
0.304
MAT-POS-11ebe265-1
0.303
EDJ-MED-923a35c2-4
0.302
JOO-PER-58e158bd-1
0.300
MAR-UCB-6ab2ec87-5
0.299
VLA-UNK-58704097-1
0.299
EDJ-MED-670ad2ee-11
0.296
EDJ-MED-841e0cf0-8
0.296
EDJ-MED-670ad2ee-12
0.296
PET-UNK-9bf1291a-2
0.296
MAT-POS-e119ab4f-2
0.294
MAT-POS-c7726e07-3
0.294
MAT-POS-c7726e07-4
0.294
ALP-POS-3fc1724e-4
0.293
PET-UNK-9bf1291a-4
0.292
EDG-MED-5d232de5-1
0.291
EDG-MED-5d232de5-2
0.291
ALP-POS-ce760d3f-7
0.291
ALP-POS-696356e4-1
0.291
PET-UNK-162c14b2-2
0.291
ALP-POS-3fc1724e-3
0.290
PET-UNK-bcc8fd08-5
0.289
EDJ-MED-841e0cf0-3
0.288
EDJ-MED-670ad2ee-3
0.288
EDJ-MED-923a35c2-5
0.288
PET-UNK-03fd2068-3
0.287
EDJ-MED-611d11e7-6
0.286
MAT-POS-ec6d90b7-7
0.286
PET-UNK-b78139fa-16
0.286
HYO-UNK-50298ba0-1
0.286
MAT-POS-96f51285-5
0.286
PET-UNK-4b4f2bb7-6
0.284
PET-UNK-03fd2068-7
0.284
MAT-POS-c88128cb-13
0.284
JAN-GHE-fd8d85a5-10
0.284
EDJ-MED-b6c6ee2b-7
0.283
MAT-POS-61f37a1a-14
0.283
PET-UNK-1b92fa34-2
0.283
BEN-VAN-d8fd1356-24
0.283
MED-COV-4280ac29-37
0.283
PET-UNK-49566573-3
0.282
PET-UNK-bcc8fd08-2
0.282
EDG-MED-b8f93667-3
0.282
EDJ-MED-009f762b-5
0.281
PET-UNK-03fd2068-10
0.281
BEN-VAN-d8fd1356-20
0.280
EDJ-MED-009f762b-1
0.280
MAT-POS-24589f88-16
0.280
EDG-MED-b8f93667-5
0.280
EDJ-MED-670ad2ee-6
0.280
EDJ-MED-670ad2ee-9
0.280
MAT-POS-64942dd0-2
0.280
PET-UNK-03fd2068-5
0.280
EDJ-MED-841e0cf0-7
0.280
EDJ-MED-841e0cf0-5
0.280
EDJ-MED-670ad2ee-5
0.280
EDJ-MED-670ad2ee-10
0.280
KIM-UNI-7d12df64-3
0.280
PET-UNK-b78139fa-7
0.279
ERI-UCB-d6de1f3c-7
0.279
MAT-POS-90fd5f68-37
0.279
BEN-DND-a88ffd65-2
0.279
BEN-DND-a88ffd65-1
0.278
EDJ-MED-c3ea9889-6
0.278
MAT-POS-a5ef2d74-2
0.278
EDJ-MED-611d11e7-4
0.278
MAT-POS-ec6d90b7-4
0.278
PET-UNK-407a74a5-16
0.278
MAT-POS-b4d6b7fc-9
0.278
JUL-TUD-06b2044f-111
0.278
MAT-POS-61f37a1a-13
0.278