MMsINC Database Search


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MMsINC code: MMs01683440

Type: Neutral
Formula: C₁₇H₁₆Cl₂N₂O₂

SMILES:

Clc1cc(Cl)ccc1C(=O)NCC(=O)Nc1c(cccc1C)C

InChI:

InChI=1/C17H16Cl2N2O2/c1-10-4-3-5-11(2)16(10)21-15(22)9-20-17(23)13-7-6-12(18)8-14(13)19/h3-8H,9H2,1-2H3,(H,20,23)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.4026 kcal/mol

Physical Properties
Molecular Weight: 351.233 g/mol	logS: -5.31696	SlogP: 3.97874	Reactive groups: 0

Topological Properties
Globularity: 0.0546347	Sterimol/B1: 2.16809	Sterimol/B2: 2.51254	Sterimol/B3: 4.73039
Sterimol/B4: 6.41371	Sterimol/L: 17.5774

Surface and Volume Properties
Accessible surface: 580.569	Positive charged surface: 280.818	Negative charged surface: 299.751	Volume: 312.125
Hydrophobic surface: 514.614	Hydrophilic surface: 65.955

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