MMsINC Database Search


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MMsINC code: MMs02010686

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O(CC)c1ccc2c(cccc2)c1C(=O)NCc1cc2cc(n(c2cc1)C)C

InChI:

InChI=1/C24H24N2O2/c1-4-28-22-12-10-18-7-5-6-8-20(18)23(22)24(27)25-15-17-9-11-21-19(14-17)13-16(2)26(21)3/h5-14H,4,15H2,1-3H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.862 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -6.05168	SlogP: 5.59422	Reactive groups: 0

Topological Properties
Globularity: 0.0790383	Sterimol/B1: 2.27036	Sterimol/B2: 3.54094	Sterimol/B3: 4.4822
Sterimol/B4: 11.1673	Sterimol/L: 16.5665

Surface and Volume Properties
Accessible surface: 686.94	Positive charged surface: 422.036	Negative charged surface: 247.973	Volume: 380.5
Hydrophobic surface: 611.548	Hydrophilic surface: 75.392

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.