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MMsINC code: MMs02599270

Type: Neutral
Formula: C₁₅H₁₄ClNO₂

SMILES:

Clc1ccc(cc1)CCNc1ccccc1C(O)=O

InChI:

InChI=1/C15H14ClNO2/c16-12-7-5-11(6-8-12)9-10-17-14-4-2-1-3-13(14)15(18)19/h1-8,17H,9-10H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.8573 kcal/mol

Physical Properties
Molecular Weight: 275.735 g/mol	logS: -3.7144	SlogP: 3.69277	Reactive groups: 0

Topological Properties
Globularity: 0.0630723	Sterimol/B1: 3.0907	Sterimol/B2: 3.60556	Sterimol/B3: 3.74649
Sterimol/B4: 6.4695	Sterimol/L: 15.9484

Surface and Volume Properties
Accessible surface: 512.095	Positive charged surface: 262.393	Negative charged surface: 249.702	Volume: 257.5
Hydrophobic surface: 416.346	Hydrophilic surface: 95.749

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02599271
OTAVA-ZINC05520615