MMsINC Database Search


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MMsINC code: MMs02147166

Type: Neutral
Formula: C₁₇H₁₅NO

SMILES:

OC(c1ccc(cc1)C)c1nccc2c1cccc2

InChI:

InChI=1/C17H15NO/c1-12-6-8-14(9-7-12)17(19)16-15-5-3-2-4-13(15)10-11-18-16/h2-11,17,19H,1H3/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.331 kcal/mol

Physical Properties
Molecular Weight: 249.313 g/mol	logS: -4.17038	SlogP: 3.72042	Reactive groups: 0

Topological Properties
Globularity: 0.140122	Sterimol/B1: 2.55572	Sterimol/B2: 3.88464	Sterimol/B3: 5.59331
Sterimol/B4: 5.74365	Sterimol/L: 13.6343

Surface and Volume Properties
Accessible surface: 474.556	Positive charged surface: 275.479	Negative charged surface: 191.01	Volume: 254.5
Hydrophobic surface: 431.204	Hydrophilic surface: 43.352

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.