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MMsINC code: MMs01850805

Type: Neutral
Formula: C₁₇H₁₇Cl₂N₃O

SMILES:

Clc1cc(Cl)cnc1NC(=O)CC1N(CCc2c1cccc2)C

InChI:

InChI=1/C17H17Cl2N3O/c1-22-7-6-11-4-2-3-5-13(11)15(22)9-16(23)21-17-14(19)8-12(18)10-20-17/h2-5,8,10,15H,6-7,9H2,1H3,(H,20,21,23)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.4306 kcal/mol

Physical Properties
Molecular Weight: 350.249 g/mol	logS: -3.84025	SlogP: 4.04167	Reactive groups: 0

Topological Properties
Globularity: 0.246764	Sterimol/B1: 1.969	Sterimol/B2: 4.0978	Sterimol/B3: 4.69445
Sterimol/B4: 8.91458	Sterimol/L: 13.6656

Surface and Volume Properties
Accessible surface: 567.691	Positive charged surface: 330.893	Negative charged surface: 236.798	Volume: 312.5
Hydrophobic surface: 537.928	Hydrophilic surface: 29.763

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs01850806
IBS-ZINC02397773