MMsINC Database Search


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MMsINC code: MMs00698175

Type: Neutral
Formula: C₂₆H₂₁NO₂

SMILES:

O(Cc1ccccc1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1

InChI:

InChI=1/C26H21NO2/c28-26(23-13-11-22(12-14-23)21-9-5-2-6-10-21)27-24-15-17-25(18-16-24)29-19-20-7-3-1-4-8-20/h1-18H,19H2,(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.076 kcal/mol

Physical Properties
Molecular Weight: 379.459 g/mol	logS: -7.59953	SlogP: 6.4513	Reactive groups: 0

Topological Properties
Globularity: 0.0143719	Sterimol/B1: 3.29064	Sterimol/B2: 3.47167	Sterimol/B3: 3.71246
Sterimol/B4: 4.24232	Sterimol/L: 24.6906

Surface and Volume Properties
Accessible surface: 700.115	Positive charged surface: 365.037	Negative charged surface: 325.408	Volume: 383.625
Hydrophobic surface: 653.136	Hydrophilic surface: 46.979

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.