MMsINC Database Search


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MMsINC code: MMs00639334

Type: Neutral
Formula: C₂₅H₂₁NO₂

SMILES:

O(Cc1cc(ccc1)C(=O)NCc1ccccc1)c1cc2c(cc1)cccc2

InChI:

InChI=1/C25H21NO2/c27-25(26-17-19-7-2-1-3-8-19)23-12-6-9-20(15-23)18-28-24-14-13-21-10-4-5-11-22(21)16-24/h1-16H,17-18H2,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.0565 kcal/mol

Physical Properties
Molecular Weight: 367.448 g/mol	logS: -6.99507	SlogP: 5.8816	Reactive groups: 0

Topological Properties
Globularity: 0.0380688	Sterimol/B1: 3.75792	Sterimol/B2: 3.94319	Sterimol/B3: 4.30172
Sterimol/B4: 4.61868	Sterimol/L: 22.629

Surface and Volume Properties
Accessible surface: 685.445	Positive charged surface: 373.737	Negative charged surface: 302.99	Volume: 372
Hydrophobic surface: 629.57	Hydrophilic surface: 55.875

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.