MMsINC Database Search


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MMsINC code: MMs02395240

Type: Neutral
Formula: C₂₅H₂₁N

SMILES:

n1ccc(cc1)C(Cc1ccccc1)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C25H21N/c1-4-10-21(11-5-1)20-25(22-12-6-2-7-13-22,23-14-8-3-9-15-23)24-16-18-26-19-17-24/h1-19H,20H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=167.417 kcal/mol

Physical Properties
Molecular Weight: 335.45 g/mol	logS: -5.90296	SlogP: 5.65867	Reactive groups: 0

Topological Properties
Globularity: 0.354368	Sterimol/B1: 3.21954	Sterimol/B2: 5.19473	Sterimol/B3: 6.03683
Sterimol/B4: 6.24915	Sterimol/L: 14.2466

Surface and Volume Properties
Accessible surface: 553.332	Positive charged surface: 345.142	Negative charged surface: 208.19	Volume: 348.875
Hydrophobic surface: 537.173	Hydrophilic surface: 16.159

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1

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Ions/Tautomers related molecules: no related molecules available.