MMsINC Database Search


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MMsINC code: MMs02712124

Type: Neutral
Formula: C₁₉H₂₄N₂O₂

SMILES:

O(CC)c1ccc(NC(=O)Nc2ccccc2C(CC)C)cc1

InChI:

InChI=1/C19H24N2O2/c1-4-14(3)17-8-6-7-9-18(17)21-19(22)20-15-10-12-16(13-11-15)23-5-2/h6-14H,4-5H2,1-3H3,(H2,20,21,22)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.445 kcal/mol

Physical Properties
Molecular Weight: 312.413 g/mol	logS: -5.33577	SlogP: 5.2428	Reactive groups: 0

Topological Properties
Globularity: 0.0504198	Sterimol/B1: 2.17228	Sterimol/B2: 3.40172	Sterimol/B3: 3.92533
Sterimol/B4: 8.08305	Sterimol/L: 18.0856

Surface and Volume Properties
Accessible surface: 612.325	Positive charged surface: 401.079	Negative charged surface: 211.246	Volume: 324.625
Hydrophobic surface: 492.8	Hydrophilic surface: 119.525

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