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MMsINC code: MMs01381722

Type: Neutral
Formula: C₁₉H₂₄ClN₃O

SMILES:

Clc1cc(NC(=O)CNCC(N(C)C)c2ccccc2)c(cc1)C

InChI:

InChI=1/C19H24ClN3O/c1-14-9-10-16(20)11-17(14)22-19(24)13-21-12-18(23(2)3)15-7-5-4-6-8-15/h4-11,18,21H,12-13H2,1-3H3,(H,22,24)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.299 kcal/mol

Physical Properties
Molecular Weight: 345.874 g/mol	logS: -3.91446	SlogP: 3.57492	Reactive groups: 0

Topological Properties
Globularity: 0.0680255	Sterimol/B1: 2.21642	Sterimol/B2: 3.52172	Sterimol/B3: 4.74354
Sterimol/B4: 7.59232	Sterimol/L: 18.4227

Surface and Volume Properties
Accessible surface: 625.889	Positive charged surface: 387.582	Negative charged surface: 238.307	Volume: 342.5
Hydrophobic surface: 585.308	Hydrophilic surface: 40.581

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

MMs01381723
ENAMINE-ZINC03338894