MMsINC Database Search


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MMsINC code: MMs02118918

Type: Neutral
Formula: C₂₀H₁₈Cl₂N₂O

SMILES:

Clc1ccc(cc1)C(O)(CNCc1ncccc1)c1ccc(Cl)cc1

InChI:

InChI=1/C20H18Cl2N2O/c21-17-8-4-15(5-9-17)20(25,16-6-10-18(22)11-7-16)14-23-13-19-3-1-2-12-24-19/h1-12,23,25H,13-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.922 kcal/mol

Physical Properties
Molecular Weight: 373.283 g/mol	logS: -4.822	SlogP: 4.992	Reactive groups: 0

Topological Properties
Globularity: 0.138849	Sterimol/B1: 3.19009	Sterimol/B2: 4.27369	Sterimol/B3: 4.50503
Sterimol/B4: 7.35045	Sterimol/L: 17.3827

Surface and Volume Properties
Accessible surface: 623.525	Positive charged surface: 310.911	Negative charged surface: 312.613	Volume: 345.125
Hydrophobic surface: 569.888	Hydrophilic surface: 53.637

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.