MMsINC Database Search


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MMsINC code: MMs01315447

Type: Neutral
Formula: C₁₉H₁₅ClN₂O₄

SMILES:

Clc1cc(NC(=O)COC(=O)c2nc3c(cc2)cccc3)c(OC)cc1

InChI:

InChI=1/C19H15ClN2O4/c1-25-17-9-7-13(20)10-16(17)22-18(23)11-26-19(24)15-8-6-12-4-2-3-5-14(12)21-15/h2-10H,11H2,1H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.573 kcal/mol

Physical Properties
Molecular Weight: 370.792 g/mol	logS: -5.28917	SlogP: 3.6923	Reactive groups: 0

Topological Properties
Globularity: 0.0136235	Sterimol/B1: 2.34396	Sterimol/B2: 3.22721	Sterimol/B3: 4.08595
Sterimol/B4: 7.6966	Sterimol/L: 18.6617

Surface and Volume Properties
Accessible surface: 634.038	Positive charged surface: 355.462	Negative charged surface: 272.884	Volume: 329.5
Hydrophobic surface: 519.482	Hydrophilic surface: 114.556

Pharmacophoric Properties
Hydrogen bond donors: 1	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.