MMsINC Database Search


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MMsINC code: MMs01109169

Type: Neutral
Formula: C₁₅H₁₆Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)N(CC)CC

InChI:

InChI=1/C15H16Cl2N2O2/c1-4-19(5-2)15(20)12-9(3)21-18-14(12)13-10(16)7-6-8-11(13)17/h6-8H,4-5H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.9786 kcal/mol

Physical Properties
Molecular Weight: 327.211 g/mol	logS: -4.90294	SlogP: 4.43882	Reactive groups: 0

Topological Properties
Globularity: 0.275027	Sterimol/B1: 2.43803	Sterimol/B2: 4.3133	Sterimol/B3: 5.25294
Sterimol/B4: 7.21957	Sterimol/L: 12.2321

Surface and Volume Properties
Accessible surface: 501.578	Positive charged surface: 251.427	Negative charged surface: 250.15	Volume: 289.875
Hydrophobic surface: 438.002	Hydrophilic surface: 63.576

Pharmacophoric Properties
Hydrogen bond donors: 0	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.