MMsINC Database Search


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MMsINC code: MMs02290850

Type: Neutral
Formula: C₁₇H₁₅NO

SMILES:

O(C)c1cc-2c(CCc3c-2[nH]c2c3cccc2)cc1

InChI:

InChI=1/C17H15NO/c1-19-12-8-6-11-7-9-14-13-4-2-3-5-16(13)18-17(14)15(11)10-12/h2-6,8,10,18H,7,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.458 kcal/mol

Physical Properties
Molecular Weight: 249.313 g/mol	logS: -4.65269	SlogP: 3.94204	Reactive groups: 0

Topological Properties
Globularity: 0.016438	Sterimol/B1: 2.70357	Sterimol/B2: 3.15724	Sterimol/B3: 3.19728
Sterimol/B4: 6.22282	Sterimol/L: 15.1582

Surface and Volume Properties
Accessible surface: 475.075	Positive charged surface: 311.299	Negative charged surface: 158.357	Volume: 250.125
Hydrophobic surface: 440.632	Hydrophilic surface: 34.443

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.