MMsINC Database Search


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MMsINC code: MMs00669703

Type: Neutral
Formula: C₂₃H₂₁ClN₂O₃

SMILES:

Clc1ccc(NC(=O)CC)cc1NC(=O)c1ccc(OCc2ccccc2)cc1

InChI:

InChI=1/C23H21ClN2O3/c1-2-22(27)25-18-10-13-20(24)21(14-18)26-23(28)17-8-11-19(12-9-17)29-15-16-6-4-3-5-7-16/h3-14H,2,15H2,1H3,(H,25,27)(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.963 kcal/mol

Physical Properties
Molecular Weight: 408.885 g/mol	logS: -6.31866	SlogP: 5.7862	Reactive groups: 0

Topological Properties
Globularity: 0.0193123	Sterimol/B1: 2.54355	Sterimol/B2: 3.00288	Sterimol/B3: 4.18795
Sterimol/B4: 7.61245	Sterimol/L: 23.4983

Surface and Volume Properties
Accessible surface: 716.841	Positive charged surface: 393.846	Negative charged surface: 322.995	Volume: 383.625
Hydrophobic surface: 609.117	Hydrophilic surface: 107.724

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.