MMsINC Database Search


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MMsINC code: MMs02195725

Type: Neutral
Formula: C₁₅H₉ClO₂

SMILES:

Clc1cc2cc(oc2cc1)C(=O)c1ccccc1

InChI:

InChI=1/C15H9ClO2/c16-12-6-7-13-11(8-12)9-14(18-13)15(17)10-4-2-1-3-5-10/h1-9H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.3832 kcal/mol

Physical Properties
Molecular Weight: 256.688 g/mol	logS: -5.79023	SlogP: 4.3172	Reactive groups: 0

Topological Properties
Globularity: 0.00060191	Sterimol/B1: 2.13196	Sterimol/B2: 2.24398	Sterimol/B3: 3.05316
Sterimol/B4: 5.61461	Sterimol/L: 15.5813

Surface and Volume Properties
Accessible surface: 467.832	Positive charged surface: 201.304	Negative charged surface: 260.862	Volume: 233.125
Hydrophobic surface: 428.664	Hydrophilic surface: 39.168

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.