MMsINC Database Search


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MMsINC code: MMs02178264

Type: Neutral
Formula: C₁₈H₁₄O₂

SMILES:

OC(C(=O)c1cc2c(cc1)cccc2)c1ccccc1

InChI:

InChI=1/C18H14O2/c19-17(14-7-2-1-3-8-14)18(20)16-11-10-13-6-4-5-9-15(13)12-16/h1-12,17,19H/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.2478 kcal/mol

Physical Properties
Molecular Weight: 262.308 g/mol	logS: -5.13303	SlogP: 3.8516	Reactive groups: 0

Topological Properties
Globularity: 0.120969	Sterimol/B1: 2.32747	Sterimol/B2: 3.07225	Sterimol/B3: 5.09907
Sterimol/B4: 6.08679	Sterimol/L: 13.7611

Surface and Volume Properties
Accessible surface: 485.09	Positive charged surface: 239.028	Negative charged surface: 235.45	Volume: 262.25
Hydrophobic surface: 413.307	Hydrophilic surface: 71.783

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.