MMsINC Database Search


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MMsINC code: MMs01545924

Type: Neutral
Formula: C₁₈H₁₅ClN₂O₅

SMILES:

Clc1ccc(nc1)NC(=O)COC(=O)c1oc2c(cc(OC)cc2)c1C

InChI:

InChI=1/C18H15ClN2O5/c1-10-13-7-12(24-2)4-5-14(13)26-17(10)18(23)25-9-16(22)21-15-6-3-11(19)8-20-15/h3-8H,9H2,1-2H3,(H,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.2167 kcal/mol

Physical Properties
Molecular Weight: 374.78 g/mol	logS: -5.35955	SlogP: 3.59372	Reactive groups: 0

Topological Properties
Globularity: 0.0042853	Sterimol/B1: 1.969	Sterimol/B2: 2.48821	Sterimol/B3: 2.52087
Sterimol/B4: 8.31049	Sterimol/L: 21.3465

Surface and Volume Properties
Accessible surface: 638.354	Positive charged surface: 387.773	Negative charged surface: 244.653	Volume: 327.625
Hydrophobic surface: 517.711	Hydrophilic surface: 120.643

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.