MMsINC Database Search


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MMsINC code: MMs01208147

Type: Neutral
Formula: C₁₄H₁₀ClNO₂

SMILES:

Clc1cc(ccc1O)-c1oc2cc(ccc2n1)C

InChI:

InChI=1/C14H10ClNO2/c1-8-2-4-11-13(6-8)18-14(16-11)9-3-5-12(17)10(15)7-9/h2-7,17H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.8049 kcal/mol

Physical Properties
Molecular Weight: 259.692 g/mol	logS: -5.54681	SlogP: 4.16222	Reactive groups: 0

Topological Properties
Globularity: 0.00534068	Sterimol/B1: 2.08707	Sterimol/B2: 2.50819	Sterimol/B3: 3.98472
Sterimol/B4: 5.21411	Sterimol/L: 15.4167

Surface and Volume Properties
Accessible surface: 474.966	Positive charged surface: 241.446	Negative charged surface: 233.52	Volume: 231.5
Hydrophobic surface: 390.769	Hydrophilic surface: 84.197

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.