MMsINC Database Search


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MMsINC code: MMs00015256

Type: Neutral
Formula: C₁₈H₁₀O₂

SMILES:

O=C1c2c(cc3c(c2)cccc3)C(=O)c2c1cccc2

InChI:

InChI=1/C18H10O2/c19-17-13-7-3-4-8-14(13)18(20)16-10-12-6-2-1-5-11(12)9-15(16)17/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.6935 kcal/mol

Physical Properties
Molecular Weight: 258.276 g/mol	logS: -5.76288	SlogP: 3.6152	Reactive groups: 0

Topological Properties
Globularity: 0.0157588	Sterimol/B1: 2.23936	Sterimol/B2: 3.11013	Sterimol/B3: 3.6091
Sterimol/B4: 5.00563	Sterimol/L: 14.3735

Surface and Volume Properties
Accessible surface: 457.67	Positive charged surface: 219.626	Negative charged surface: 226.973	Volume: 246.5
Hydrophobic surface: 384.832	Hydrophilic surface: 72.838

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.