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MMsINC code: MMs02702380

Type: Neutral
Formula: C₁₇H₁₄ClN₃O₃

SMILES:

Clc1ccc(cc1)CC(=O)Nc1oc2cc(NC(=O)C)ccc2n1

InChI:

InChI=1/C17H14ClN3O3/c1-10(22)19-13-6-7-14-15(9-13)24-17(20-14)21-16(23)8-11-2-4-12(18)5-3-11/h2-7,9H,8H2,1H3,(H,19,22)(H,20,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.9246 kcal/mol

Physical Properties
Molecular Weight: 343.77 g/mol	logS: -5.59183	SlogP: 3.62077	Reactive groups: 0

Topological Properties
Globularity: 0.0302565	Sterimol/B1: 3.45315	Sterimol/B2: 3.57951	Sterimol/B3: 3.81683
Sterimol/B4: 4.75003	Sterimol/L: 20.0206

Surface and Volume Properties
Accessible surface: 595.129	Positive charged surface: 330.671	Negative charged surface: 264.458	Volume: 301.875
Hydrophobic surface: 447.288	Hydrophilic surface: 147.841

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.