MMsINC Database Search


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MMsINC code: MMs03112541

Type: Neutral
Formula: C₁₉H₁₉ClN₂O₃

SMILES:

Clc1ccccc1OCCN1C(=O)C(NC1=O)(CC)c1ccccc1

InChI:

InChI=1/C19H19ClN2O3/c1-2-19(14-8-4-3-5-9-14)17(23)22(18(24)21-19)12-13-25-16-11-7-6-10-15(16)20/h3-11H,2,12-13H2,1H3,(H,21,24)/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.9663 kcal/mol

Physical Properties
Molecular Weight: 358.825 g/mol	logS: -4.91038	SlogP: 3.8876	Reactive groups: 0

Topological Properties
Globularity: 0.143659	Sterimol/B1: 2.60474	Sterimol/B2: 4.23835	Sterimol/B3: 4.47017
Sterimol/B4: 8.74728	Sterimol/L: 14.4692

Surface and Volume Properties
Accessible surface: 581.409	Positive charged surface: 315.562	Negative charged surface: 265.847	Volume: 332.125
Hydrophobic surface: 496.495	Hydrophilic surface: 84.914

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.