MMsINC Database Search


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MMsINC code: MMs02642114

Type: Neutral
Formula: C₁₇H₁₅ClN₂O₃

SMILES:

Clc1cc2OC(=O)N(c2cc1)CC(=O)Nc1ccc(cc1)CC

InChI:

InChI=1/C17H15ClN2O3/c1-2-11-3-6-13(7-4-11)19-16(21)10-20-14-8-5-12(18)9-15(14)23-17(20)22/h3-9H,2,10H2,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.418 kcal/mol

Physical Properties
Molecular Weight: 330.771 g/mol	logS: -5.77623	SlogP: 3.85987	Reactive groups: 0

Topological Properties
Globularity: 0.0908553	Sterimol/B1: 2.94001	Sterimol/B2: 4.71042	Sterimol/B3: 4.76643
Sterimol/B4: 4.87307	Sterimol/L: 17.9875

Surface and Volume Properties
Accessible surface: 575.489	Positive charged surface: 305.75	Negative charged surface: 269.739	Volume: 296.625
Hydrophobic surface: 444.661	Hydrophilic surface: 130.828

Pharmacophoric Properties
Hydrogen bond donors: 1	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.