MMsINC Database Search


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MMsINC code: MMs00919954

Type: Neutral
Formula: C₁₈H₁₅ClN₂O₄

SMILES:

Clc1cc(NC(=O)c2noc(c2)-c2ccccc2OC)c(OC)cc1

InChI:

InChI=1/C18H15ClN2O4/c1-23-15-6-4-3-5-12(15)17-10-14(21-25-17)18(22)20-13-9-11(19)7-8-16(13)24-2/h3-10H,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.862 kcal/mol

Physical Properties
Molecular Weight: 358.781 g/mol	logS: -5.38437	SlogP: 4.2645	Reactive groups: 0

Topological Properties
Globularity: 0.0160701	Sterimol/B1: 2.4206	Sterimol/B2: 2.45201	Sterimol/B3: 3.64764
Sterimol/B4: 8.60317	Sterimol/L: 17.7587

Surface and Volume Properties
Accessible surface: 607.716	Positive charged surface: 359.151	Negative charged surface: 248.565	Volume: 318
Hydrophobic surface: 526.446	Hydrophilic surface: 81.27

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.