MMsINC Database Search


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MMsINC code: MMs00386859

Type: Neutral
Formula: C₁₉H₁₅NO₂

SMILES:

O(C(=O)\C=C/c1ccccc1)c1c2nc(ccc2ccc1)C

InChI:

InChI=1/C19H15NO2/c1-14-10-12-16-8-5-9-17(19(16)20-14)22-18(21)13-11-15-6-3-2-4-7-15/h2-13H,1H3/b13-11-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.263 kcal/mol

Physical Properties
Molecular Weight: 289.334 g/mol	logS: -4.90669	SlogP: 4.16202	Reactive groups: 0

Topological Properties
Globularity: 0.0684301	Sterimol/B1: 2.36335	Sterimol/B2: 3.32523	Sterimol/B3: 3.88625
Sterimol/B4: 7.32776	Sterimol/L: 15.3642

Surface and Volume Properties
Accessible surface: 545.928	Positive charged surface: 316.442	Negative charged surface: 224.079	Volume: 285
Hydrophobic surface: 514.108	Hydrophilic surface: 31.82

Pharmacophoric Properties
Hydrogen bond donors: 0	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.