MMsINC Database Search


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MMsINC code: MMs00623990

Type: Neutral
Formula: C₁₀H₁₀ClNO₃

SMILES:

Clc1ccc(NC(=O)C)cc1C(OC)=O

InChI:

InChI=1/C10H10ClNO3/c1-6(13)12-7-3-4-9(11)8(5-7)10(14)15-2/h3-5H,1-2H3,(H,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.6243 kcal/mol

Physical Properties
Molecular Weight: 227.647 g/mol	logS: -2.71035	SlogP: 2.085	Reactive groups: 0

Topological Properties
Globularity: 0.0250194	Sterimol/B1: 2.55303	Sterimol/B2: 2.64345	Sterimol/B3: 2.95132
Sterimol/B4: 7.1577	Sterimol/L: 11.9914

Surface and Volume Properties
Accessible surface: 426.18	Positive charged surface: 256.508	Negative charged surface: 169.673	Volume: 197.25
Hydrophobic surface: 340.687	Hydrophilic surface: 85.493

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.