MMsINC Database Search


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MMsINC code: MMs00756489

Type: Neutral
Formula: C₁₉H₁₅NO

SMILES:

Oc1ccccc1Cn1c2c(c3c1cccc3)cccc2

InChI:

InChI=1/C19H15NO/c21-19-12-6-1-7-14(19)13-20-17-10-4-2-8-15(17)16-9-3-5-11-18(16)20/h1-12,21H,13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.2662 kcal/mol

Physical Properties
Molecular Weight: 273.335 g/mol	logS: -4.82142	SlogP: 4.8148	Reactive groups: 0

Topological Properties
Globularity: 0.134599	Sterimol/B1: 2.80301	Sterimol/B2: 4.38732	Sterimol/B3: 5.05813
Sterimol/B4: 6.79591	Sterimol/L: 12.0811

Surface and Volume Properties
Accessible surface: 485.761	Positive charged surface: 258.201	Negative charged surface: 216.512	Volume: 276
Hydrophobic surface: 452.091	Hydrophilic surface: 33.67

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.