MMsINC Database Search


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MMsINC code: MMs02293090

Type: Neutral
Formula: C₂₂H₂₀O

SMILES:

O=C(c1ccccc1Cc1cccc(C)c1C)c1ccccc1

InChI:

InChI=1/C22H20O/c1-16-9-8-13-19(17(16)2)15-20-12-6-7-14-21(20)22(23)18-10-4-3-5-11-18/h3-14H,15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.298 kcal/mol

Physical Properties
Molecular Weight: 300.401 g/mol	logS: -6.52191	SlogP: 5.12521	Reactive groups: 0

Topological Properties
Globularity: 0.165017	Sterimol/B1: 3.69177	Sterimol/B2: 4.06581	Sterimol/B3: 4.24932
Sterimol/B4: 6.95816	Sterimol/L: 14.3209

Surface and Volume Properties
Accessible surface: 540.944	Positive charged surface: 299.473	Negative charged surface: 241.47	Volume: 317.875
Hydrophobic surface: 520.785	Hydrophilic surface: 20.159

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.