MMsINC Database Search


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MMsINC code: MMs03924381

Type: Neutral
Formula: C₁₉H₁₇NO

SMILES:

Oc1ccc2c(cccc2)c1\C=N/c1ccc(cc1C)C

InChI:

InChI=1/C19H17NO/c1-13-7-9-18(14(2)11-13)20-12-17-16-6-4-3-5-15(16)8-10-19(17)21/h3-12,21H,1-2H3/b20-12-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.2284 kcal/mol

Physical Properties
Molecular Weight: 275.351 g/mol	logS: -5.45994	SlogP: 4.91284	Reactive groups: 0

Topological Properties
Globularity: 0.196439	Sterimol/B1: 2.30157	Sterimol/B2: 3.19793	Sterimol/B3: 5.15551
Sterimol/B4: 7.34995	Sterimol/L: 13.0702

Surface and Volume Properties
Accessible surface: 499.088	Positive charged surface: 308.28	Negative charged surface: 184.439	Volume: 284.875
Hydrophobic surface: 453.463	Hydrophilic surface: 45.625

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.