MMsINC Database Search


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MMsINC code: MMs00600402

Type: Neutral
Formula: C₁₉H₂₃NO

SMILES:

O(Cc1ccccc1)c1ccc(cc1)CN1CCCCC1

InChI:

InChI=1/C19H23NO/c1-3-7-18(8-4-1)16-21-19-11-9-17(10-12-19)15-20-13-5-2-6-14-20/h1,3-4,7-12H,2,5-6,13-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.8921 kcal/mol

Physical Properties
Molecular Weight: 281.399 g/mol	logS: -3.82876	SlogP: 4.7843	Reactive groups: 0

Topological Properties
Globularity: 0.0471059	Sterimol/B1: 3.24973	Sterimol/B2: 3.62682	Sterimol/B3: 3.95743
Sterimol/B4: 4.64044	Sterimol/L: 18.3277

Surface and Volume Properties
Accessible surface: 573.608	Positive charged surface: 390.018	Negative charged surface: 183.589	Volume: 300.75
Hydrophobic surface: 557.202	Hydrophilic surface: 16.406

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

MMs00600403
CHEMBRIDGE-ZINC00278599