MMsINC Database Search


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MMsINC code: MMs01020134

Type: Neutral
Formula: C₁₈H₁₅ClN₂O₃

SMILES:

Clc1cc(NC(=O)COC2=CC(=O)N(c3c2cccc3)C)ccc1

InChI:

InChI=1/C18H15ClN2O3/c1-21-15-8-3-2-7-14(15)16(10-18(21)23)24-11-17(22)20-13-6-4-5-12(19)9-13/h2-10H,11H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.5951 kcal/mol

Physical Properties
Molecular Weight: 342.782 g/mol	logS: -4.92633	SlogP: 3.3126	Reactive groups: 0

Topological Properties
Globularity: 0.012769	Sterimol/B1: 2.67664	Sterimol/B2: 3.31779	Sterimol/B3: 3.44969
Sterimol/B4: 7.11087	Sterimol/L: 17.8371

Surface and Volume Properties
Accessible surface: 585.114	Positive charged surface: 317.661	Negative charged surface: 267.454	Volume: 305.625
Hydrophobic surface: 493.76	Hydrophilic surface: 91.354

Pharmacophoric Properties
Hydrogen bond donors: 1	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.