MMsINC Database Search


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MMsINC code: MMs00087144

Type: Neutral
Formula: C₁₆H₁₅NO₂

SMILES:

O(C)c1cc(ccc1)C(=O)N1CCc2c1cccc2

InChI:

InChI=1/C16H15NO2/c1-19-14-7-4-6-13(11-14)16(18)17-10-9-12-5-2-3-8-15(12)17/h2-8,11H,9-10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.119 kcal/mol

Physical Properties
Molecular Weight: 253.301 g/mol	logS: -3.48313	SlogP: 2.89807	Reactive groups: 0

Topological Properties
Globularity: 0.0109411	Sterimol/B1: 2.36625	Sterimol/B2: 2.58951	Sterimol/B3: 3.56788
Sterimol/B4: 5.00254	Sterimol/L: 16.055

Surface and Volume Properties
Accessible surface: 475.441	Positive charged surface: 307.387	Negative charged surface: 168.054	Volume: 248.75
Hydrophobic surface: 434.868	Hydrophilic surface: 40.573

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: no related molecules available.