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MMsINC code: MMs03506757

Type: Neutral
Formula: C₁₆H₁₉NO

SMILES:

O(Cc1ccccc1)c1ccc(cc1)CC(N)C

InChI:

InChI=1/C16H19NO/c1-13(17)11-14-7-9-16(10-8-14)18-12-15-5-3-2-4-6-15/h2-10,13H,11-12,17H2,1H3/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.7739 kcal/mol

Physical Properties
Molecular Weight: 241.334 g/mol	logS: -3.25676	SlogP: 3.42167	Reactive groups: 0

Topological Properties
Globularity: 0.0537428	Sterimol/B1: 2.48284	Sterimol/B2: 3.55272	Sterimol/B3: 3.72902
Sterimol/B4: 4.42829	Sterimol/L: 17.1197

Surface and Volume Properties
Accessible surface: 513.172	Positive charged surface: 326.929	Negative charged surface: 186.242	Volume: 261
Hydrophobic surface: 436.715	Hydrophilic surface: 76.457

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs03506758
PUBCHEM-ZINC06036822