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MMsINC code: MMs00939329

Type: Neutral
Formula: C₁₅H₁₄ClNO₂

SMILES:

Clc1ccccc1CNc1ccc(cc1)CC(O)=O

InChI:

InChI=1/C15H14ClNO2/c16-14-4-2-1-3-12(14)10-17-13-7-5-11(6-8-13)9-15(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)=53.8618 kcal/mol

Physical Properties
Molecular Weight: 275.735 g/mol	logS: -3.7144	SlogP: 3.84557	Reactive groups: 0

Topological Properties
Globularity: 0.058991	Sterimol/B1: 2.46838	Sterimol/B2: 2.86923	Sterimol/B3: 4.08895
Sterimol/B4: 5.61166	Sterimol/L: 16.8275

Surface and Volume Properties
Accessible surface: 509.319	Positive charged surface: 272.922	Negative charged surface: 236.398	Volume: 255.5
Hydrophobic surface: 398.689	Hydrophilic surface: 110.63

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

MMs00939330
CHEMDIV-ZINC04636460