MMsINC Database Search


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MMsINC code: MMs01188492

Type: Neutral
Formula: C₁₉H₂₄ClN₃O

SMILES:

Clc1ccccc1C(=O)N(Cc1cc(N)ccc1N(C)C)CCC

InChI:

InChI=1/C19H24ClN3O/c1-4-11-23(19(24)16-7-5-6-8-17(16)20)13-14-12-15(21)9-10-18(14)22(2)3/h5-10,12H,4,11,13,21H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=156.163 kcal/mol

Physical Properties
Molecular Weight: 345.874 g/mol	logS: -4.10448	SlogP: 4.307	Reactive groups: 0

Topological Properties
Globularity: 0.194552	Sterimol/B1: 2.2291	Sterimol/B2: 3.61087	Sterimol/B3: 5.22823
Sterimol/B4: 8.44649	Sterimol/L: 13.45

Surface and Volume Properties
Accessible surface: 581.93	Positive charged surface: 390.287	Negative charged surface: 191.643	Volume: 341.5
Hydrophobic surface: 487.405	Hydrophilic surface: 94.525

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