MMsINC Database Search


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MMsINC code: MMs02214397

Type: Neutral
Formula: C₁₇H₁₅NO₂

SMILES:

O(C)c1cc2N(C)C(=CC(=O)c2cc1)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.0819 kcal/mol

Physical Properties
Molecular Weight: 265.312 g/mol	logS: -4.15569	SlogP: 3.3688	Reactive groups: 1

Topological Properties
Globularity: 0.0336269	Sterimol/B1: 2.0002	Sterimol/B2: 2.67924	Sterimol/B3: 3.20263
Sterimol/B4: 7.00386	Sterimol/L: 15.6912

Surface and Volume Properties
Accessible surface: 486.276	Positive charged surface: 312.142	Negative charged surface: 174.134	Volume: 263.5
Hydrophobic surface: 432.624	Hydrophilic surface: 53.652

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.