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MMsINC code: MMs00199171

Type: Neutral
Formula: C₁₈H₁₇Cl₂NO₃

SMILES:

Clc1cc(NC(=O)CC(C(C)c2ccccc2)C(O)=O)ccc1Cl

InChI:

InChI=1/C18H17Cl2NO3/c1-11(12-5-3-2-4-6-12)14(18(23)24)10-17(22)21-13-7-8-15(19)16(20)9-13/h2-9,11,14H,10H2,1H3,(H,21,22)(H,23,24)/t11-,14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.9372 kcal/mol

Physical Properties
Molecular Weight: 366.244 g/mol	logS: -5.03438	SlogP: 4.8265	Reactive groups: 0

Topological Properties
Globularity: 0.115072	Sterimol/B1: 2.93889	Sterimol/B2: 3.80118	Sterimol/B3: 4.11394
Sterimol/B4: 7.39588	Sterimol/L: 15.9004

Surface and Volume Properties
Accessible surface: 593.317	Positive charged surface: 294.247	Negative charged surface: 299.07	Volume: 324.375
Hydrophobic surface: 473.866	Hydrophilic surface: 119.451

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs00199172
ASINEX-ZINC00864897