MMsINC Database Search


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MMsINC code: MMs02860944

Type: Neutral
Formula: C₁₉H₂₅ClN₂

SMILES:

Clc1ccc(N(C(CC)c2ccc(N(C)C)cc2)CC)cc1

InChI:

InChI=1/C19H25ClN2/c1-5-19(15-7-11-17(12-8-15)21(3)4)22(6-2)18-13-9-16(20)10-14-18/h7-14,19H,5-6H2,1-4H3/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.804 kcal/mol

Physical Properties
Molecular Weight: 316.876 g/mol	logS: -4.59808	SlogP: 5.4791	Reactive groups: 0

Topological Properties
Globularity: 0.236695	Sterimol/B1: 2.37445	Sterimol/B2: 2.97996	Sterimol/B3: 6.74891
Sterimol/B4: 9.15453	Sterimol/L: 12.9753

Surface and Volume Properties
Accessible surface: 566.176	Positive charged surface: 374.751	Negative charged surface: 191.425	Volume: 329.625
Hydrophobic surface: 521.358	Hydrophilic surface: 44.818

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.