MMsINC Database Search


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MMsINC code: MMs02664231

Type: Neutral
Formula: C₁₉H₁₆O₂

SMILES:

O(C(=O)c1c2c(ccc1)cccc2)c1cccc(C)c1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.974 kcal/mol

Physical Properties
Molecular Weight: 276.335 g/mol	logS: -6.01121	SlogP: 4.67584	Reactive groups: 0

Topological Properties
Globularity: 0.121829	Sterimol/B1: 2.35384	Sterimol/B2: 4.53505	Sterimol/B3: 5.54899
Sterimol/B4: 6.09812	Sterimol/L: 14.9313

Surface and Volume Properties
Accessible surface: 515.289	Positive charged surface: 279.647	Negative charged surface: 224.533	Volume: 278.875
Hydrophobic surface: 498.984	Hydrophilic surface: 16.305

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.