MMsINC Database Search


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MMsINC code: MMs00200931

Type: Neutral
Formula: C₁₈H₁₄Cl₂N₂O₂

SMILES:

Clc1cc(C(NC(=O)C)c2ccc(Cl)cc2)c(O)c2ncccc12

InChI:

InChI=1/C18H14Cl2N2O2/c1-10(23)22-16(11-4-6-12(19)7-5-11)14-9-15(20)13-3-2-8-21-17(13)18(14)24/h2-9,16,24H,1H3,(H,22,23)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.4734 kcal/mol

Physical Properties
Molecular Weight: 361.228 g/mol	logS: -5.00144	SlogP: 4.5682	Reactive groups: 0

Topological Properties
Globularity: 0.212517	Sterimol/B1: 2.14641	Sterimol/B2: 3.45222	Sterimol/B3: 5.23915
Sterimol/B4: 10.3866	Sterimol/L: 13.9058

Surface and Volume Properties
Accessible surface: 569.344	Positive charged surface: 264.984	Negative charged surface: 298.704	Volume: 315
Hydrophobic surface: 479.693	Hydrophilic surface: 89.651

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.