MMsINC Database Search


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MMsINC code: MMs02178263

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-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.2881 kcal/mol

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

Topological Properties
Globularity: 0.122154	Sterimol/B1: 2.35017	Sterimol/B2: 3.09608	Sterimol/B3: 5.12344
Sterimol/B4: 6.05016	Sterimol/L: 13.705

Surface and Volume Properties
Accessible surface: 481.907	Positive charged surface: 240.788	Negative charged surface: 230.003	Volume: 261.75
Hydrophobic surface: 410.548	Hydrophilic surface: 71.359

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.