MMsINC Database Search


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MMsINC code: MMs03228911

Type: Neutral
Formula: C₂₃H₂₄N₂O₂

SMILES:

O(CCCC)c1ccc(cc1)C(=O)Nc1ccc(cc1)Cc1ccncc1

InChI:

InChI=1/C23H24N2O2/c1-2-3-16-27-22-10-6-20(7-11-22)23(26)25-21-8-4-18(5-9-21)17-19-12-14-24-15-13-19/h4-15H,2-3,16-17H2,1H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.6151 kcal/mol

Physical Properties
Molecular Weight: 360.457 g/mol	logS: -5.30769	SlogP: 5.10357	Reactive groups: 0

Topological Properties
Globularity: 0.0269064	Sterimol/B1: 3.60545	Sterimol/B2: 3.90769	Sterimol/B3: 4.23649
Sterimol/B4: 6.21315	Sterimol/L: 21.9747

Surface and Volume Properties
Accessible surface: 690.413	Positive charged surface: 468.101	Negative charged surface: 222.312	Volume: 372.875
Hydrophobic surface: 606.571	Hydrophilic surface: 83.842

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.