MMsINC Database Search


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MMsINC code: MMs02351398

Type: Neutral
Formula: C₁₉H₁₅NO₂

SMILES:

O=C(C)c1c2c(cccc2)c(NC(=O)c2ccccc2)cc1

InChI:

InChI=1/C19H15NO2/c1-13(21)15-11-12-18(17-10-6-5-9-16(15)17)20-19(22)14-7-3-2-4-8-14/h2-12H,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.515 kcal/mol

Physical Properties
Molecular Weight: 289.334 g/mol	logS: -5.54502	SlogP: 4.2947	Reactive groups: 0

Topological Properties
Globularity: 0.014069	Sterimol/B1: 2.20588	Sterimol/B2: 2.53993	Sterimol/B3: 2.75379
Sterimol/B4: 8.11501	Sterimol/L: 16.048

Surface and Volume Properties
Accessible surface: 517.938	Positive charged surface: 265.143	Negative charged surface: 242.45	Volume: 283.125
Hydrophobic surface: 454.168	Hydrophilic surface: 63.77

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.