MMsINC Database Search


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MMsINC code: MMs00745093

Type: Neutral
Formula: C₂₈H₂₃NO₂

SMILES:

OC1(N(C(c2ccccc2)c2ccccc2)C(=O)c2c1cccc2)Cc1ccccc1

InChI:

InChI=1/C28H23NO2/c30-27-24-18-10-11-19-25(24)28(31,20-21-12-4-1-5-13-21)29(27)26(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-19,26,31H,20H2/t28-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.638 kcal/mol

Physical Properties
Molecular Weight: 405.497 g/mol	logS: -6.76601	SlogP: 5.72677	Reactive groups: 0

Topological Properties
Globularity: 0.235221	Sterimol/B1: 3.511	Sterimol/B2: 4.982	Sterimol/B3: 5.80153
Sterimol/B4: 6.57952	Sterimol/L: 15.7143

Surface and Volume Properties
Accessible surface: 640.036	Positive charged surface: 354.589	Negative charged surface: 285.447	Volume: 402.75
Hydrophobic surface: 603.489	Hydrophilic surface: 36.547

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.