MMsINC Database Search


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MMsINC code: MMs03021364

Type: Neutral
Formula: C₁₇H₁₉NO₂

SMILES:

OC(C(=O)CN(C)C)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C17H19NO2/c1-18(2)13-16(19)17(20,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,20H,13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.386 kcal/mol

Physical Properties
Molecular Weight: 269.344 g/mol	logS: -3.15304	SlogP: 2.3647	Reactive groups: 1

Topological Properties
Globularity: 0.233929	Sterimol/B1: 3.81824	Sterimol/B2: 3.87483	Sterimol/B3: 5.75744
Sterimol/B4: 5.82669	Sterimol/L: 12.2145

Surface and Volume Properties
Accessible surface: 509.756	Positive charged surface: 341.667	Negative charged surface: 168.089	Volume: 275.375
Hydrophobic surface: 476.394	Hydrophilic surface: 33.362

Pharmacophoric Properties
Hydrogen bond donors: 1	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.