MMsINC Database Search


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MMsINC code: MMs02228669

Type: Neutral
Formula: C₁₇H₁₅NO₂

SMILES:

O(C)c1cc2cc(ncc2cc1OC)-c1ccccc1

InChI:

InChI=1/C17H15NO2/c1-19-16-9-13-8-15(12-6-4-3-5-7-12)18-11-14(13)10-17(16)20-2/h3-11H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.8668 kcal/mol

Physical Properties
Molecular Weight: 265.312 g/mol	logS: -4.50056	SlogP: 3.919	Reactive groups: 0

Topological Properties
Globularity: 0.00648109	Sterimol/B1: 2.17594	Sterimol/B2: 2.3741	Sterimol/B3: 2.38113
Sterimol/B4: 7.93186	Sterimol/L: 15.9572

Surface and Volume Properties
Accessible surface: 517.928	Positive charged surface: 346.733	Negative charged surface: 152.153	Volume: 263.75
Hydrophobic surface: 486.837	Hydrophilic surface: 31.091

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.