MMsINC Database Search


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MMsINC code: MMs03959239

Type: Neutral
Formula: C₁₇H₁₇ClN₂O₃

SMILES:

Clc1ccccc1C(=O)Nc1ccccc1C(=O)NCCOC

InChI:

InChI=1/C17H17ClN2O3/c1-23-11-10-19-16(21)13-7-3-5-9-15(13)20-17(22)12-6-2-4-8-14(12)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.585 kcal/mol

Physical Properties
Molecular Weight: 332.787 g/mol	logS: -4.37793	SlogP: 2.9685	Reactive groups: 0

Topological Properties
Globularity: 0.0266617	Sterimol/B1: 2.49133	Sterimol/B2: 3.74316	Sterimol/B3: 3.90968
Sterimol/B4: 7.59795	Sterimol/L: 17.0371

Surface and Volume Properties
Accessible surface: 583.29	Positive charged surface: 361.476	Negative charged surface: 221.814	Volume: 307.75
Hydrophobic surface: 525.159	Hydrophilic surface: 58.131

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.