MMsINC Database Search


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MMsINC code: MMs02699419

Type: Neutral
Formula: C₁₇H₁₅NO₂

SMILES:

O1c2c(ccc(Nc3ccc(cc3)C)c2)C(=CC1=O)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.1197 kcal/mol

Physical Properties
Molecular Weight: 265.312 g/mol	logS: -5.19564	SlogP: 4.06092	Reactive groups: 0

Topological Properties
Globularity: 0.0402604	Sterimol/B1: 2.58716	Sterimol/B2: 3.34403	Sterimol/B3: 4.07123
Sterimol/B4: 5.88475	Sterimol/L: 15.4961

Surface and Volume Properties
Accessible surface: 502.736	Positive charged surface: 285.451	Negative charged surface: 217.285	Volume: 260.75
Hydrophobic surface: 415.479	Hydrophilic surface: 87.257

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.