MMsINC Database Search


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MMsINC code: MMs01713739

Type: Neutral
Formula: C₁₆H₁₄ClNO₄

SMILES:

Clc1cc(NC(=O)c2ccc(cc2)CO)c(cc1)C(OC)=O

InChI:

InChI=1/C16H14ClNO4/c1-22-16(21)13-7-6-12(17)8-14(13)18-15(20)11-4-2-10(9-19)3-5-11/h2-8,19H,9H2,1H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.4173 kcal/mol

Physical Properties
Molecular Weight: 319.744 g/mol	logS: -4.24191	SlogP: 3.1376	Reactive groups: 0

Topological Properties
Globularity: 0.0294617	Sterimol/B1: 2.11994	Sterimol/B2: 2.52736	Sterimol/B3: 3.18517
Sterimol/B4: 10.1331	Sterimol/L: 15.8087

Surface and Volume Properties
Accessible surface: 556.936	Positive charged surface: 325.937	Negative charged surface: 230.999	Volume: 283.625
Hydrophobic surface: 433.726	Hydrophilic surface: 123.21

Pharmacophoric Properties
Hydrogen bond donors: 2	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.