MMsINC Database Search


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MMsINC code: MMs03522875

Type: Neutral
Formula: C₁₈H₁₉NO₂

SMILES:

O(C)c1cc2c([nH]c(-c3cc(C)c(O)c(c3)C)c2C)cc1

InChI:

InChI=1/C18H19NO2/c1-10-7-13(8-11(2)18(10)20)17-12(3)15-9-14(21-4)5-6-16(15)19-17/h5-9,19-20H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.0955 kcal/mol

Physical Properties
Molecular Weight: 281.355 g/mol	logS: -4.2398	SlogP: 4.47436	Reactive groups: 0

Topological Properties
Globularity: 0.0389367	Sterimol/B1: 2.11296	Sterimol/B2: 2.46213	Sterimol/B3: 3.85004
Sterimol/B4: 6.86056	Sterimol/L: 16.718

Surface and Volume Properties
Accessible surface: 533.838	Positive charged surface: 352.061	Negative charged surface: 175.546	Volume: 288.125
Hydrophobic surface: 465.148	Hydrophilic surface: 68.69

Pharmacophoric Properties
Hydrogen bond donors: 2	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.