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MMsINC code: MMs02592178

Type: Neutral
Formula: C₁₉H₂₄N₂O₂

SMILES:

O(CCCC)c1ccc(NCC(=O)Nc2ccc(cc2)C)cc1

InChI:

InChI=1/C19H24N2O2/c1-3-4-13-23-18-11-9-16(10-12-18)20-14-19(22)21-17-7-5-15(2)6-8-17/h5-12,20H,3-4,13-14H2,1-2H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.3046 kcal/mol

Physical Properties
Molecular Weight: 312.413 g/mol	logS: -4.74627	SlogP: 4.22452	Reactive groups: 0

Topological Properties
Globularity: 0.00875595	Sterimol/B1: 2.61429	Sterimol/B2: 2.64418	Sterimol/B3: 3.14601
Sterimol/B4: 5.7258	Sterimol/L: 22.5569

Surface and Volume Properties
Accessible surface: 643.413	Positive charged surface: 428.156	Negative charged surface: 215.257	Volume: 328.625
Hydrophobic surface: 549.7	Hydrophilic surface: 93.713

Pharmacophoric Properties
Hydrogen bond donors: 2	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.