MMsINC Database Search


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MMsINC code: MMs01344579

Type: Neutral
Formula: C₁₉H₁₆ClNO₃

SMILES:

Clc1ccc(cc1)COC(=O)c1ccccc1NCc1occc1

InChI:

InChI=1/C19H16ClNO3/c20-15-9-7-14(8-10-15)13-24-19(22)17-5-1-2-6-18(17)21-12-16-4-3-11-23-16/h1-11,21H,12-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.9747 kcal/mol

Physical Properties
Molecular Weight: 341.794 g/mol	logS: -5.58473	SlogP: 5.4349	Reactive groups: 0

Topological Properties
Globularity: 0.0576879	Sterimol/B1: 2.48429	Sterimol/B2: 3.68279	Sterimol/B3: 3.71665
Sterimol/B4: 9.28325	Sterimol/L: 17.7637

Surface and Volume Properties
Accessible surface: 617.929	Positive charged surface: 303.985	Negative charged surface: 313.944	Volume: 317.75
Hydrophobic surface: 562.676	Hydrophilic surface: 55.253

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.