MMsINC Database Search


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MMsINC code: MMs02169808

Type: Neutral
Formula: C₁₈H₁₉ClN₂O₃

SMILES:

Clc1ccc(cc1)C(=O)NCCCOc1cc(NC(=O)C)ccc1

InChI:

InChI=1/C18H19ClN2O3/c1-13(22)21-16-4-2-5-17(12-16)24-11-3-10-20-18(23)14-6-8-15(19)9-7-14/h2,4-9,12H,3,10-11H2,1H3,(H,20,23)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.2389 kcal/mol

Physical Properties
Molecular Weight: 346.814 g/mol	logS: -4.52124	SlogP: 3.4973	Reactive groups: 0

Topological Properties
Globularity: 0.00674273	Sterimol/B1: 2.32772	Sterimol/B2: 2.82142	Sterimol/B3: 2.90665
Sterimol/B4: 6.28543	Sterimol/L: 22.5854

Surface and Volume Properties
Accessible surface: 636.253	Positive charged surface: 356.423	Negative charged surface: 279.83	Volume: 323.25
Hydrophobic surface: 536.765	Hydrophilic surface: 99.488

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.