MMsINC Database Search


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MMsINC code: MMs01038982

Type: Neutral
Formula: C₁₈H₁₄ClNO₃

SMILES:

Clc1cc(NC(=O)C=2Oc3c(cc(cc3C)C)C(=O)C=2)ccc1

InChI:

InChI=1/C18H14ClNO3/c1-10-6-11(2)17-14(7-10)15(21)9-16(23-17)18(22)20-13-5-3-4-12(19)8-13/h3-9H,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.2331 kcal/mol

Physical Properties
Molecular Weight: 327.767 g/mol	logS: -6.1457	SlogP: 4.05454	Reactive groups: 1

Topological Properties
Globularity: 0.01746	Sterimol/B1: 2.79016	Sterimol/B2: 3.3585	Sterimol/B3: 4.72784
Sterimol/B4: 5.33696	Sterimol/L: 17.1117

Surface and Volume Properties
Accessible surface: 560.108	Positive charged surface: 277.408	Negative charged surface: 282.7	Volume: 297.375
Hydrophobic surface: 479.951	Hydrophilic surface: 80.157

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.