MMsINC Database Search


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MMsINC code: MMs02339039

Type: Neutral
Formula: C₁₅H₁₀Cl₂O

SMILES:

Clc1c2c(ccc1)c(OC)c1c(c2)c(Cl)ccc1

InChI:

InChI=1/C15H10Cl2O/c1-18-15-9-4-2-6-13(16)11(9)8-12-10(15)5-3-7-14(12)17/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.4871 kcal/mol

Physical Properties
Molecular Weight: 277.15 g/mol	logS: -6.6596	SlogP: 5.3084	Reactive groups: 0

Topological Properties
Globularity: 0.0278538	Sterimol/B1: 2.08425	Sterimol/B2: 2.5276	Sterimol/B3: 3.02469
Sterimol/B4: 8.75884	Sterimol/L: 12.0584

Surface and Volume Properties
Accessible surface: 447.721	Positive charged surface: 192.723	Negative charged surface: 235.248	Volume: 244.375
Hydrophobic surface: 439.437	Hydrophilic surface: 8.284

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.