MMsINC Database Search


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MMsINC code: MMs00977380

Type: Neutral
Formula: C₁₈H₁₆Cl₂N₂O₃

SMILES:

Clc1c(NC(=O)c2c3c(CN(CCOC)C3=O)ccc2)cccc1Cl

InChI:

InChI=1/C18H16Cl2N2O3/c1-25-9-8-22-10-11-4-2-5-12(15(11)18(22)24)17(23)21-14-7-3-6-13(19)16(14)20/h2-7H,8-10H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.604 kcal/mol

Physical Properties
Molecular Weight: 379.243 g/mol	logS: -5.12863	SlogP: 4.1143	Reactive groups: 0

Topological Properties
Globularity: 0.0596431	Sterimol/B1: 2.17353	Sterimol/B2: 2.2471	Sterimol/B3: 5.05517
Sterimol/B4: 9.2619	Sterimol/L: 16.3767

Surface and Volume Properties
Accessible surface: 605.677	Positive charged surface: 362.989	Negative charged surface: 242.688	Volume: 328.75
Hydrophobic surface: 551.977	Hydrophilic surface: 53.7

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.