MMsINC Database Search


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MMsINC code: MMs02425410

Type: Neutral
Formula: C₁₅H₁₂O₂

SMILES:

o1c2c(c3c1cccc3)c(C)c(cc2C)C=O

InChI:

InChI=1/C15H12O2/c1-9-7-11(8-16)10(2)14-12-5-3-4-6-13(12)17-15(9)14/h3-8H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.6029 kcal/mol

Physical Properties
Molecular Weight: 224.259 g/mol	logS: -5.31739	SlogP: 4.01534	Reactive groups: 1

Topological Properties
Globularity: 0.0148312	Sterimol/B1: 2.07715	Sterimol/B2: 2.51241	Sterimol/B3: 2.51891
Sterimol/B4: 7.66074	Sterimol/L: 12.9677

Surface and Volume Properties
Accessible surface: 429.59	Positive charged surface: 241.1	Negative charged surface: 176.019	Volume: 222.75
Hydrophobic surface: 362.498	Hydrophilic surface: 67.092

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.