MMsINC Database Search


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MMsINC code: MMs00123683

Type: Neutral
Formula: C₁₇H₁₅NO₂

SMILES:

O=C1N(C(=O)c2c1cccc2)c1ccc(cc1)C(C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.2078 kcal/mol

Physical Properties
Molecular Weight: 265.312 g/mol	logS: -5.26295	SlogP: 3.6106	Reactive groups: 0

Topological Properties
Globularity: 0.0326263	Sterimol/B1: 2.3738	Sterimol/B2: 3.76793	Sterimol/B3: 4.34963
Sterimol/B4: 4.87415	Sterimol/L: 15.8515

Surface and Volume Properties
Accessible surface: 490.094	Positive charged surface: 279.757	Negative charged surface: 210.337	Volume: 260.625
Hydrophobic surface: 379.824	Hydrophilic surface: 110.27

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.