MMsINC Database Search


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MMsINC code: MMs01363705

Type: Neutral
Formula: C₁₉H₁₆O₂

SMILES:

O(C(=O)c1ccc(cc1C)C)c1c2c(ccc1)cccc2

InChI:

InChI=1/C19H16O2/c1-13-10-11-16(14(2)12-13)19(20)21-18-9-5-7-15-6-3-4-8-17(15)18/h3-12H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.8219 kcal/mol

Physical Properties
Molecular Weight: 276.335 g/mol	logS: -6.32466	SlogP: 4.67584	Reactive groups: 0

Topological Properties
Globularity: 0.111147	Sterimol/B1: 3.25176	Sterimol/B2: 4.65596	Sterimol/B3: 5.17684
Sterimol/B4: 5.19683	Sterimol/L: 15.3857

Surface and Volume Properties
Accessible surface: 529.413	Positive charged surface: 291.826	Negative charged surface: 229.095	Volume: 278.25
Hydrophobic surface: 512.775	Hydrophilic surface: 16.638

Pharmacophoric Properties
Hydrogen bond donors: 0	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.