Molecular Properties | |
SMILES: | CC(C)(C)c1cccc(N(C(=O)Nc2cccnc2)c2ccc3cnccc3c2)c1 |
MW: | 396.494 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 58.12 |
cLogP: | 6.29750000000001 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
WIL-UNI-5578df48-33
0.517
IAN-BAS-0ac8c25d-1
0.484
WIL-UNI-5578df48-21
0.443
EMI-TUK-a58865cc-3
0.435
WIL-UNI-5578df48-2
0.427
EMI-TUK-a58865cc-2
0.420
ASH-UNK-40b46b30-1
0.413
WIL-UNI-5578df48-1
0.410
EMI-TUK-a58865cc-1
0.400
BEN-BAS-3b12fa42-1
0.394
MAK-UNK-f0bfc2e0-1
0.389
WIL-UNI-5578df48-39
0.388
JOR-UNI-2fc98d0b-8
0.380
WIL-UNI-5578df48-22
0.372
WIL-UNI-5578df48-4
0.364
WIL-UNI-5578df48-19
0.360
WAR-XCH-eb7b662f-6
0.354
JOR-UNI-2fc98d0b-12
0.354
JOR-UNI-2fc98d0b-2
0.351
JOR-UNI-2fc98d0b-11
0.350
JOR-UNI-2fc98d0b-5
0.350
ASH-UNK-40b46b30-9
0.348
WIL-UNI-5578df48-5
0.344
JOR-UNI-2fc98d0b-16
0.343
JOR-UNI-2fc98d0b-14
0.343
SAD-SAT-689b7d5a-3
0.341
JAN-GHE-83b26c96-19
0.337
DAR-DIA-23aa0b97-14
0.337
JOR-UNI-2fc98d0b-7
0.337
WAR-XCH-eb7b662f-7
0.337
JOR-UNI-61e7b1d5-9
0.337
JOR-UNI-2fc98d0b-3
0.337
JOR-UNI-2fc98d0b-4
0.337
JOR-UNI-2fc98d0b-1
0.337
JOR-UNI-2fc98d0b-17
0.337
JOR-UNI-2fc98d0b-15
0.337
ERI-UCB-ce40166b-23
0.333
JOR-UNI-2fc98d0b-6
0.330
JOR-UNI-2fc98d0b-10
0.330
JOR-UNI-2fc98d0b-13
0.330
KEI-TRE-d5e2018a-29
0.330
MAR-TRE-2fd8122f-67
0.329
ASH-UNK-40b46b30-3
0.326
WIL-UNI-5578df48-7
0.326
KEI-TRE-d5e2018a-19
0.323
SAD-SAT-689b7d5a-8
0.323
WIL-UNI-5578df48-3
0.322
WIL-UNI-5578df48-6
0.321
KEI-TRE-d5e2018a-7
0.320
MAR-TRE-4b834d9a-16
0.320
MAR-TRE-7f7bb9f0-90
0.319
CHR-SOS-7098f804-12
0.318
JOR-UNI-61e7b1d5-18
0.317
WIL-UNI-5578df48-38
0.317
DUN-NEW-f8ce3686-16
0.317
KEI-TRE-d5e2018a-34
0.316
KEI-TRE-d5e2018a-25
0.316
MAK-UNK-ca11b4f7-3
0.316
EMI-TUK-a58865cc-5
0.315
JAG-UCB-a3ef7265-7
0.312
JOH-IMS-62aeb97d-5
0.312
JOR-UNI-61e7b1d5-28
0.311
JOR-UNI-61e7b1d5-14
0.311
JOR-UNI-61e7b1d5-7
0.310
DAR-DIA-842b4336-2
0.310
MAK-UNK-129dcd6f-9
0.309
MAR-TRE-67513f76-55
0.309
KEI-TRE-d5e2018a-24
0.309
JOR-UNI-2fc98d0b-9
0.309
EMI-TUK-a58865cc-7
0.309
SAD-SAT-f25ee457-8
0.309
JOR-UNI-61e7b1d5-20
0.308
EDG-MED-0da5ad92-19
0.308
JOR-UNI-61e7b1d5-2
0.307
WAR-XCH-eb7b662f-1
0.307
DAR-DIA-23aa0b97-5
0.307
ANN-UNI-26382800-4
0.307
JOR-UNI-61e7b1d5-22
0.306
EMI-TUK-a58865cc-6
0.305
MAR-TRE-7f7bb9f0-16
0.305
KEI-TRE-d5e2018a-27
0.305
BAR-COM-21d20d65-6
0.303
MAR-TRE-f6f5f473-75
0.303
MAR-TRE-67513f76-81
0.303
MAK-UNK-d1e89583-4
0.302
EMI-TUK-a58865cc-4
0.302
WIL-UNI-5578df48-20
0.302
KEI-TRE-d5e2018a-40
0.302
JOR-UNI-61e7b1d5-12
0.302
DUN-NEW-f8ce3686-17
0.301
KEI-TRE-d5e2018a-73
0.301
AAR-POS-d2a4d1df-11
0.300
SAD-SAT-689b7d5a-9
0.300
KEI-TRE-d5e2018a-16
0.300
JOR-UNI-61e7b1d5-3
0.299
JOR-UNI-61e7b1d5-5
0.299
JOR-UNI-61e7b1d5-30
0.299
MAK-UNK-c749d764-17
0.299
MAK-UNK-ca11b4f7-2
0.299
KEI-TRE-d5e2018a-99
0.298