MMsINC Database Search


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MMsINC code: MMs03240677

Type: Neutral
Formula: C₁₇H₁₉NO

SMILES:

O=C(CCc1ccc(N(C)C)cc1)c1ccccc1

InChI:

InChI=1/C17H19NO/c1-18(2)16-11-8-14(9-12-16)10-13-17(19)15-6-4-3-5-7-15/h3-9,11-12H,10,13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.4125 kcal/mol

Physical Properties
Molecular Weight: 253.345 g/mol	logS: -3.32849	SlogP: 3.56807	Reactive groups: 0

Topological Properties
Globularity: 0.0670639	Sterimol/B1: 2.35449	Sterimol/B2: 3.83891	Sterimol/B3: 4.79097
Sterimol/B4: 4.89175	Sterimol/L: 16.9327

Surface and Volume Properties
Accessible surface: 522.713	Positive charged surface: 351.631	Negative charged surface: 171.083	Volume: 274.5
Hydrophobic surface: 490.671	Hydrophilic surface: 32.042

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.