MMsINC Database Search


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MMsINC code: MMs00855212

Type: Neutral
Formula: C₁₉H₁₉NO₂

SMILES:

O(C)c1cc2c(n(c(C)c2C(=O)C)-c2ccc(cc2)C)cc1

InChI:

InChI=1/C19H19NO2/c1-12-5-7-15(8-6-12)20-13(2)19(14(3)21)17-11-16(22-4)9-10-18(17)20/h5-11H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.7273 kcal/mol

Physical Properties
Molecular Weight: 293.366 g/mol	logS: -4.54261	SlogP: 4.45854	Reactive groups: 0

Topological Properties
Globularity: 0.0741487	Sterimol/B1: 3.35596	Sterimol/B2: 3.67278	Sterimol/B3: 4.08011
Sterimol/B4: 7.59321	Sterimol/L: 14.9852

Surface and Volume Properties
Accessible surface: 549.315	Positive charged surface: 339.233	Negative charged surface: 205.516	Volume: 299.25
Hydrophobic surface: 501.343	Hydrophilic surface: 47.972

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.