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MMsINC code: MMs02917151

Type: Neutral
Formula: C₁₉H₂₁Cl₂N₃O₂

SMILES:

Clc1cc(Cl)ccc1OCc1cc(ccc1)C(=O)NN1CCN(CC1)C

InChI:

InChI=1/C19H21Cl2N3O2/c1-23-7-9-24(10-8-23)22-19(25)15-4-2-3-14(11-15)13-26-18-6-5-16(20)12-17(18)21/h2-6,11-12H,7-10,13H2,1H3,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.201 kcal/mol

Physical Properties
Molecular Weight: 394.302 g/mol	logS: -4.63747	SlogP: 3.731	Reactive groups: 0

Topological Properties
Globularity: 0.0483726	Sterimol/B1: 3.01368	Sterimol/B2: 3.45603	Sterimol/B3: 5.01869
Sterimol/B4: 6.85747	Sterimol/L: 21.3349

Surface and Volume Properties
Accessible surface: 679.593	Positive charged surface: 401.005	Negative charged surface: 278.588	Volume: 358.375
Hydrophobic surface: 633.343	Hydrophilic surface: 46.25

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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

MMs02917152
PUBCHEM-ZINC02753361