MMsINC Database Search


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MMsINC code: MMs00664204

Type: Neutral
Formula: C₂₀H₂₅NO

SMILES:

O=C(N(Cc1ccccc1)C(C)(C)C)c1cc(C)c(cc1)C

InChI:

InChI=1/C20H25NO/c1-15-11-12-18(13-16(15)2)19(22)21(20(3,4)5)14-17-9-7-6-8-10-17/h6-13H,14H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=300.819 kcal/mol

Physical Properties
Molecular Weight: 295.426 g/mol	logS: -5.12239	SlogP: 5.01074	Reactive groups: 0

Topological Properties
Globularity: 0.191574	Sterimol/B1: 2.14486	Sterimol/B2: 5.29847	Sterimol/B3: 5.4955
Sterimol/B4: 5.98428	Sterimol/L: 13.6445

Surface and Volume Properties
Accessible surface: 531.798	Positive charged surface: 322.704	Negative charged surface: 209.094	Volume: 314
Hydrophobic surface: 458.725	Hydrophilic surface: 73.073

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.