MMsINC Database Search


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MMsINC code: MMs01233822

Type: Neutral
Formula: C₁₆H₁₅ClN₂O₃

SMILES:

Clc1ccc(OCC(=O)NNC(=O)c2ccc(cc2)C)cc1

InChI:

InChI=1/C16H15ClN2O3/c1-11-2-4-12(5-3-11)16(21)19-18-15(20)10-22-14-8-6-13(17)7-9-14/h2-9H,10H2,1H3,(H,18,20)(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.0606 kcal/mol

Physical Properties
Molecular Weight: 318.76 g/mol	logS: -4.86843	SlogP: 2.48842	Reactive groups: 0

Topological Properties
Globularity: 0.00307686	Sterimol/B1: 2.37903	Sterimol/B2: 2.51231	Sterimol/B3: 3.24831
Sterimol/B4: 4.875	Sterimol/L: 21.0182

Surface and Volume Properties
Accessible surface: 581.254	Positive charged surface: 285.515	Negative charged surface: 295.739	Volume: 292.125
Hydrophobic surface: 467.614	Hydrophilic surface: 113.64

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.