MMsINC Database Search


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MMsINC code: MMs00696239

Type: Neutral
Formula: C₂₀H₂₆N₂O₂

SMILES:

O(CCCC(=O)Nc1ccc(N(C)C)cc1)c1ccc(cc1)CC

InChI:

InChI=1/C20H26N2O2/c1-4-16-7-13-19(14-8-16)24-15-5-6-20(23)21-17-9-11-18(12-10-17)22(2)3/h7-14H,4-6,15H2,1-3H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.4387 kcal/mol

Physical Properties
Molecular Weight: 326.44 g/mol	logS: -4.43193	SlogP: 4.11267	Reactive groups: 0

Topological Properties
Globularity: 0.0142702	Sterimol/B1: 2.25525	Sterimol/B2: 3.70379	Sterimol/B3: 4.08144
Sterimol/B4: 4.74493	Sterimol/L: 22.8788

Surface and Volume Properties
Accessible surface: 658.792	Positive charged surface: 478.7	Negative charged surface: 180.092	Volume: 343.375
Hydrophobic surface: 586.214	Hydrophilic surface: 72.578

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.