MMsINC Database Search


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MMsINC code: MMs03169359

Type: Neutral
Formula: C₂₃H₂₄Cl₂N₂

SMILES:

Clc1c(cccc1Cl)C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1

InChI:

InChI=1/C23H24Cl2N2/c1-26(2)18-12-8-16(9-13-18)22(20-6-5-7-21(24)23(20)25)17-10-14-19(15-11-17)27(3)4/h5-15,22H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=147.465 kcal/mol

Physical Properties
Molecular Weight: 399.365 g/mol	logS: -6.15367	SlogP: 6.3056	Reactive groups: 0

Topological Properties
Globularity: 0.130068	Sterimol/B1: 2.75514	Sterimol/B2: 3.13457	Sterimol/B3: 6.35325
Sterimol/B4: 10.7439	Sterimol/L: 16.0121

Surface and Volume Properties
Accessible surface: 655.796	Positive charged surface: 425.486	Negative charged surface: 230.31	Volume: 387.5
Hydrophobic surface: 655.796	Hydrophilic surface: 0

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

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Ions/Tautomers related molecules: no related molecules available.