MMsINC Database Search


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MMsINC code: MMs03164719

Type: Neutral
Formula: C₁₅H₁₄ClNO₃

SMILES:

Clc1cc(cc(OCc2ccccc2)c1OC)C(=O)N

InChI:

InChI=1/C15H14ClNO3/c1-19-14-12(16)7-11(15(17)18)8-13(14)20-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H2,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.3274 kcal/mol

Physical Properties
Molecular Weight: 291.734 g/mol	logS: -4.23995	SlogP: 3.2929	Reactive groups: 0

Topological Properties
Globularity: 0.0720731	Sterimol/B1: 2.36095	Sterimol/B2: 3.29382	Sterimol/B3: 3.87628
Sterimol/B4: 8.33248	Sterimol/L: 14.9252

Surface and Volume Properties
Accessible surface: 525.044	Positive charged surface: 297.607	Negative charged surface: 227.438	Volume: 267
Hydrophobic surface: 404.451	Hydrophilic surface: 120.593

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.