MMsINC Database Search


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MMsINC code: MMs03029756

Type: Neutral
Formula: C₁₉H₂₃NO₂

SMILES:

OC(=O)C(CCCN(C)C)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C19H23NO2/c1-20(2)15-9-14-19(18(21)22,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13H,9,14-15H2,1-2H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.739 kcal/mol

Physical Properties
Molecular Weight: 297.398 g/mol	logS: -3.2342	SlogP: 3.3991	Reactive groups: 0

Topological Properties
Globularity: 0.16844	Sterimol/B1: 2.52919	Sterimol/B2: 4.1362	Sterimol/B3: 5.8681
Sterimol/B4: 7.12842	Sterimol/L: 14.4259

Surface and Volume Properties
Accessible surface: 547.343	Positive charged surface: 377.313	Negative charged surface: 170.03	Volume: 309.5
Hydrophobic surface: 479.438	Hydrophilic surface: 67.905

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.