MMsINC Database Search


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MMsINC code: MMs01632633

Type: Neutral
Formula: C₂₄H₁₉NO

SMILES:

O=C(NC(c1ccccc1)c1ccccc1)c1cc2c(cc1)cccc2

InChI:

InChI=1/C24H19NO/c26-24(22-16-15-18-9-7-8-14-21(18)17-22)25-23(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-17,23H,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.3486 kcal/mol

Physical Properties
Molecular Weight: 337.422 g/mol	logS: -6.94469	SlogP: 5.4547	Reactive groups: 0

Topological Properties
Globularity: 0.109532	Sterimol/B1: 2.31032	Sterimol/B2: 3.77456	Sterimol/B3: 4.68019
Sterimol/B4: 9.03936	Sterimol/L: 16.1707

Surface and Volume Properties
Accessible surface: 613.935	Positive charged surface: 311.528	Negative charged surface: 292.887	Volume: 344.75
Hydrophobic surface: 582.902	Hydrophilic surface: 31.033

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