MMsINC Database Search


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MMsINC code: MMs02416516

Type: Neutral
Formula: C₁₆H₁₅NO₂

SMILES:

O(Cc1ccccc1)c1cc2[nH]ccc2cc1OC

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.2481 kcal/mol

Physical Properties
Molecular Weight: 253.301 g/mol	logS: -3.54344	SlogP: 4.0219	Reactive groups: 0

Topological Properties
Globularity: 0.0621406	Sterimol/B1: 2.41491	Sterimol/B2: 3.61689	Sterimol/B3: 3.62026
Sterimol/B4: 8.24401	Sterimol/L: 15.338

Surface and Volume Properties
Accessible surface: 511.458	Positive charged surface: 319.108	Negative charged surface: 185.811	Volume: 254.375
Hydrophobic surface: 441.78	Hydrophilic surface: 69.678

Pharmacophoric Properties
Hydrogen bond donors: 1	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.