MMsINC Database Search


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MMsINC code: MMs01869488

Type: Neutral
Formula: C₁₅H₁₄O

SMILES:

O=C(Cc1ccccc1)c1ccc(cc1)C

InChI:

InChI=1/C15H14O/c1-12-7-9-14(10-8-12)15(16)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.4173 kcal/mol

Physical Properties
Molecular Weight: 210.276 g/mol	logS: -3.99308	SlogP: 3.42039	Reactive groups: 0

Topological Properties
Globularity: 0.0648592	Sterimol/B1: 3.46544	Sterimol/B2: 3.61575	Sterimol/B3: 3.62039
Sterimol/B4: 3.98316	Sterimol/L: 15.2015

Surface and Volume Properties
Accessible surface: 454.779	Positive charged surface: 256.072	Negative charged surface: 198.706	Volume: 227.5
Hydrophobic surface: 427.194	Hydrophilic surface: 27.585

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.