MMsINC Database Search


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MMsINC code: MMs01266040

Type: Neutral
Formula: C₁₇H₁₆ClNO₃

SMILES:

Clc1ccc(cc1)CNC(=O)COc1ccc(cc1)C(=O)C

InChI:

InChI=1/C17H16ClNO3/c1-12(20)14-4-8-16(9-5-14)22-11-17(21)19-10-13-2-6-15(18)7-3-13/h2-9H,10-11H2,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.5377 kcal/mol

Physical Properties
Molecular Weight: 317.772 g/mol	logS: -4.42229	SlogP: 3.5042	Reactive groups: 0

Topological Properties
Globularity: 0.0322083	Sterimol/B1: 2.68161	Sterimol/B2: 3.61737	Sterimol/B3: 3.62021
Sterimol/B4: 6.4643	Sterimol/L: 19.266

Surface and Volume Properties
Accessible surface: 590.89	Positive charged surface: 304.469	Negative charged surface: 286.42	Volume: 296.75
Hydrophobic surface: 485.164	Hydrophilic surface: 105.726

Pharmacophoric Properties
Hydrogen bond donors: 1	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.