MMsINC Database Search


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MMsINC code: MMs00172449

Type: Neutral
Formula: C₂₇H₂₁NO₂

SMILES:

O1c2c(cccc2)C(c2c1cccc2)C(=O)NC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C27H21NO2/c29-27(28-26(19-11-3-1-4-12-19)20-13-5-2-6-14-20)25-21-15-7-9-17-23(21)30-24-18-10-8-16-22(24)25/h1-18,25-26H,(H,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.279 kcal/mol

Physical Properties
Molecular Weight: 391.47 g/mol	logS: -7.31969	SlogP: 5.9255	Reactive groups: 0

Topological Properties
Globularity: 0.307564	Sterimol/B1: 2.77379	Sterimol/B2: 4.25167	Sterimol/B3: 7.47051
Sterimol/B4: 7.89481	Sterimol/L: 15.5084

Surface and Volume Properties
Accessible surface: 652.47	Positive charged surface: 353.518	Negative charged surface: 298.952	Volume: 387.5
Hydrophobic surface: 630.057	Hydrophilic surface: 22.413

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: 0

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Ions/Tautomers related molecules: no related molecules available.