MMsINC Database Search


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MMsINC code: MMs00080669

Type: Neutral
Formula: C₁₇H₁₅NO₂

SMILES:

OC=1c2c(N(CC)C(=O)C=1c1ccccc1)cccc2

InChI:

InChI=1/C17H15NO2/c1-2-18-14-11-7-6-10-13(14)16(19)15(17(18)20)12-8-4-3-5-9-12/h3-11,19H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.6538 kcal/mol

Physical Properties
Molecular Weight: 265.312 g/mol	logS: -3.88798	SlogP: 3.4794	Reactive groups: 0

Topological Properties
Globularity: 0.0898361	Sterimol/B1: 2.42197	Sterimol/B2: 2.52701	Sterimol/B3: 4.52991
Sterimol/B4: 7.83326	Sterimol/L: 14.2413

Surface and Volume Properties
Accessible surface: 480.619	Positive charged surface: 284.389	Negative charged surface: 196.231	Volume: 263.625
Hydrophobic surface: 406.387	Hydrophilic surface: 74.232

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.