MMsINC Database Search


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MMsINC code: MMs03765914

Type: Neutral
Formula: C₁₅H₁₃ClN₂O₃

SMILES:

Clc1ccc(cc1)/C(=N/NC(=O)c1ccc(O)cc1O)/C

InChI:

InChI=1/C15H13ClN2O3/c1-9(10-2-4-11(16)5-3-10)17-18-15(21)13-7-6-12(19)8-14(13)20/h2-8,19-20H,1H3,(H,18,21)/b17-9-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.924 kcal/mol

Physical Properties
Molecular Weight: 304.733 g/mol	logS: -3.8547	SlogP: 2.9052	Reactive groups: 0

Topological Properties
Globularity: 0.039819	Sterimol/B1: 2.4472	Sterimol/B2: 2.62251	Sterimol/B3: 3.3051
Sterimol/B4: 8.87273	Sterimol/L: 13.4351

Surface and Volume Properties
Accessible surface: 521.731	Positive charged surface: 264.188	Negative charged surface: 257.543	Volume: 270.875
Hydrophobic surface: 373.762	Hydrophilic surface: 147.969

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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.