MMsINC Database Search


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MMsINC code: MMs01969774

Type: Neutral
Formula: C₁₇H₁₅ClN₂O₃

SMILES:

Clc1cc2N(CC(=O)NC(C)c3ccccc3)C(Oc2cc1)=O

InChI:

InChI=1/C17H15ClN2O3/c1-11(12-5-3-2-4-6-12)19-16(21)10-20-14-9-13(18)7-8-15(14)23-17(20)22/h2-9,11H,10H2,1H3,(H,19,21)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.428 kcal/mol

Physical Properties
Molecular Weight: 330.771 g/mol	logS: -5.05834	SlogP: 3.6317	Reactive groups: 0

Topological Properties
Globularity: 0.0824936	Sterimol/B1: 2.35173	Sterimol/B2: 3.02685	Sterimol/B3: 5.11024
Sterimol/B4: 7.98914	Sterimol/L: 16.0025

Surface and Volume Properties
Accessible surface: 565.01	Positive charged surface: 282.887	Negative charged surface: 282.123	Volume: 298.375
Hydrophobic surface: 445.176	Hydrophilic surface: 119.834

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.