Molecular Properties | |
SMILES: | C[C@]1(C(=O)N2CCCc3c(N)cncc32)COc2ccc(Cl)cc21 |
MW: | 343.11 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 68.45 |
cLogP: | 2.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aniline
DAR-DIA-5a24bef0-9
1.000
DAR-DIA-5a24bef0-3
0.744
DAR-DIA-5a24bef0-7
0.598
DAR-DIA-5a24bef0-10
0.598
DAR-DIA-5a24bef0-4
0.579
DAR-DIA-5a24bef0-13
0.485
DAR-DIA-5a24bef0-1
0.480
DAR-DIA-5a24bef0-17
0.468
DAR-DIA-5a24bef0-14
0.453
DAR-DIA-5a24bef0-15
0.453
DAR-DIA-5a24bef0-16
0.453
ALP-POS-cd485364-2
0.423
DAR-DIA-5a24bef0-8
0.417
DAR-DIA-5a24bef0-2
0.410
DAR-DIA-5a24bef0-5
0.408
DAR-DIA-0d514e7d-30
0.343
MAT-POS-8e4737f4-1
0.330
DAR-DIA-6a508060-10
0.330
BEN-DND-a7517465-4
0.330
EDJ-MED-e4b030d8-13
0.330
ALP-POS-5de921e7-1
0.321
JAG-UCB-f37eaa14-3
0.312
VLA-UNK-83c3754c-2
0.310
ALP-POS-e6e0c683-2
0.307
VLA-UCB-1dbca3b4-14
0.306
EDJ-MED-e4b030d8-1
0.306
EDJ-MED-d203f206-22
0.305
RAL-THA-e002e396-1
0.305
VLA-UNK-c65c1026-1
0.304
MAT-POS-e6dd326d-1
0.304
MAT-POS-45b13633-1
0.304
ALP-POS-e6e0c683-1
0.304
MAT-POS-2bb0cf2b-1
0.304
EDG-MED-971238d3-5
0.304
VLA-UNK-c65c1026-2
0.304
DAR-DIA-ecdbc7dd-4
0.303
EDJ-MED-f893e2a1-8
0.303
MAR-UCB-fd2e172f-14
0.302
EDJ-MED-424a8a89-2
0.300
EDG-MED-90036822-10
0.300
EDG-MED-90036822-11
0.300
EDJ-MED-f893e2a1-10
0.299
EDG-MED-21720aac-8
0.299
KAD-UNI-8a629cb0-8
0.299
ALP-UNI-76695c4f-5
0.299
DAR-DIA-ecdbc7dd-3
0.298
EDG-MED-90036822-60
0.297
ALP-POS-93b3621f-2
0.297
DAR-DIA-ecdbc7dd-13
0.297
ERI-UCB-b3e6b0c2-19
0.296
MAT-POS-9db1e783-2
0.296
MAT-POS-8293a91a-8
0.296
EDG-MED-971238d3-2
0.296
DAR-DIA-0d514e7d-28
0.296
DAR-DIA-0d514e7d-29
0.296
MAR-UCB-fd2e172f-18
0.294
EDG-MED-90036822-28
0.294
RAL-THA-e002e396-2
0.294
RAL-THA-e002e396-11
0.294
EDG-MED-90036822-29
0.294
MAR-UCB-fd2e172f-27
0.293
EDG-MED-21720aac-9
0.293
DAR-DIA-ecdbc7dd-11
0.293
EDG-MED-90036822-80
0.293
EDG-MED-ba1ac7b9-1
0.292
MAR-UCB-fd2e172f-19
0.292
VLA-UNK-83c3754c-1
0.292
MAR-UCB-6ab2ec87-3
0.292
VLA-UNK-70dd90ef-4
0.292
ALP-POS-5de921e7-2
0.292
EDJ-MED-d203f206-30
0.291
EDG-MED-fe7487f8-6
0.291
MIK-NEW-9ae4bfeb-1
0.291
BRU-THA-a358fbdd-4
0.291
MAT-POS-45b13633-2
0.291
ALF-EVA-82cf4849-4
0.291
PET-UNK-c761fc18-1
0.291
MIC-UNK-89b52b17-1
0.291
MAT-POS-e6dd326d-2
0.291
KAD-UNI-8a629cb0-27
0.290
ALP-POS-2da19ca7-4
0.290
KAD-UNI-8a629cb0-5
0.290
ALP-UNI-76695c4f-2
0.290
PET-UNK-407a74a5-5
0.289
MAT-POS-2e8b2191-4
0.289
MAR-UCB-fd2e172f-21
0.289
EDG-MED-971238d3-11
0.289
ALF-EVA-82cf4849-3
0.289
MAT-POS-2905de8c-2
0.289
MAR-UCB-fd2e172f-30
0.289
EDG-MED-90036822-83
0.289
EDG-MED-90036822-73
0.289
MAT-POS-45b13633-4
0.288
MAR-UCB-fd2e172f-35
0.288
EDG-MED-971238d3-6
0.288
RAL-THA-58fba2bc-1
0.288
EDG-MED-971238d3-10
0.288
DAR-DIA-ecdbc7dd-2
0.288
DAR-DIA-ecdbc7dd-18
0.288
EDG-MED-21720aac-10
0.287