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MMsINC code: MMs02211596

Type: Neutral
Formula: C₁₆H₁₃Cl₂NO₃

SMILES:

Clc1ccc(cc1)C(NC(=O)c1ccc(Cl)cc1)CC(O)=O

InChI:

InChI=1/C16H13Cl2NO3/c17-12-5-1-10(2-6-12)14(9-15(20)21)19-16(22)11-3-7-13(18)8-4-11/h1-8,14H,9H2,(H,19,22)(H,20,21)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.3112 kcal/mol

Physical Properties
Molecular Weight: 338.19 g/mol	logS: -4.64525	SlogP: 4.0347	Reactive groups: 0

Topological Properties
Globularity: 0.0826652	Sterimol/B1: 2.26995	Sterimol/B2: 4.53416	Sterimol/B3: 5.33079
Sterimol/B4: 5.44722	Sterimol/L: 15.8997

Surface and Volume Properties
Accessible surface: 554.448	Positive charged surface: 230.686	Negative charged surface: 323.762	Volume: 289.625
Hydrophobic surface: 439.73	Hydrophilic surface: 114.718

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02211597
NANOSIN-ZINC04748880