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MMsINC code: MMs01348935

Type: Neutral
Formula: C₁₇H₁₉NO

SMILES:

O=C(C(N(C)C)Cc1ccccc1)c1ccccc1

InChI:

InChI=1/C17H19NO/c1-18(2)16(13-14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.92 kcal/mol

Physical Properties
Molecular Weight: 253.345 g/mol	logS: -3.41705	SlogP: 3.04217	Reactive groups: 0

Topological Properties
Globularity: 0.0969212	Sterimol/B1: 2.20823	Sterimol/B2: 2.70937	Sterimol/B3: 4.6149
Sterimol/B4: 7.64189	Sterimol/L: 14.1879

Surface and Volume Properties
Accessible surface: 487.298	Positive charged surface: 307.84	Negative charged surface: 179.458	Volume: 271
Hydrophobic surface: 474.119	Hydrophilic surface: 13.179

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs01348936
ENAMINE-ZINC03282757