MMsINC Database Search


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MMsINC code: MMs01752828

Type: Neutral
Formula: C₁₈H₁₅ClN₂O₃

SMILES:

Clc1cc2c([nH]c(C(OC)=O)c2NC(=O)c2cc(ccc2)C)cc1

InChI:

InChI=1/C18H15ClN2O3/c1-10-4-3-5-11(8-10)17(22)21-15-13-9-12(19)6-7-14(13)20-16(15)18(23)24-2/h3-9,20H,1-2H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.215 kcal/mol

Physical Properties
Molecular Weight: 342.782 g/mol	logS: -5.38763	SlogP: 4.16862	Reactive groups: 0

Topological Properties
Globularity: 0.0315137	Sterimol/B1: 2.34719	Sterimol/B2: 3.74645	Sterimol/B3: 6.49139
Sterimol/B4: 7.14466	Sterimol/L: 14.6699

Surface and Volume Properties
Accessible surface: 580.128	Positive charged surface: 323.311	Negative charged surface: 252.763	Volume: 307.625
Hydrophobic surface: 492.514	Hydrophilic surface: 87.614

Pharmacophoric Properties
Hydrogen bond donors: 2	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.