MMsINC Database Search


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MMsINC code: MMs00756771

Type: Neutral
Formula: C₁₇H₁₀O₂

SMILES:

Oc1c2c3c(ccc2)C(=O)c2c(-c3cc1)cccc2

InChI:

InChI=1/C17H10O2/c18-15-9-8-11-10-4-1-2-5-12(10)17(19)14-7-3-6-13(15)16(11)14/h1-9,18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.9058 kcal/mol

Physical Properties
Molecular Weight: 246.265 g/mol	logS: -5.7545	SlogP: 3.7568	Reactive groups: 0

Topological Properties
Globularity: 0.00286182	Sterimol/B1: 2.12359	Sterimol/B2: 2.21259	Sterimol/B3: 3.96172
Sterimol/B4: 6.13479	Sterimol/L: 12.5189

Surface and Volume Properties
Accessible surface: 433.945	Positive charged surface: 211.425	Negative charged surface: 200.377	Volume: 231.25
Hydrophobic surface: 352.177	Hydrophilic surface: 81.768

Pharmacophoric Properties
Hydrogen bond donors: 1	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.