MMsINC Database Search


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MMsINC code: MMs00725552

Type: Neutral
Formula: C₂₆H₂₁NO₂

SMILES:

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

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.735 kcal/mol

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

Topological Properties
Globularity: 0.0369912	Sterimol/B1: 3.19556	Sterimol/B2: 3.46117	Sterimol/B3: 5.6709
Sterimol/B4: 5.89563	Sterimol/L: 20.3047

Surface and Volume Properties
Accessible surface: 688.255	Positive charged surface: 389.15	Negative charged surface: 296.063	Volume: 381
Hydrophobic surface: 658.768	Hydrophilic surface: 29.487

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.