MMsINC Database Search


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MMsINC code: MMs00350144

Type: Neutral
Formula: C₂₀H₁₇NO

SMILES:

OCc1c2c(n(c1)Cc1c3c(ccc1)cccc3)cccc2

InChI:

InChI=1/C20H17NO/c22-14-17-13-21(20-11-4-3-10-19(17)20)12-16-8-5-7-15-6-1-2-9-18(15)16/h1-11,13,22H,12,14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.5578 kcal/mol

Physical Properties
Molecular Weight: 287.362 g/mol	logS: -4.98559	SlogP: 4.8679	Reactive groups: 0

Topological Properties
Globularity: 0.12152	Sterimol/B1: 2.5699	Sterimol/B2: 4.43318	Sterimol/B3: 4.53711
Sterimol/B4: 6.92649	Sterimol/L: 13.0603

Surface and Volume Properties
Accessible surface: 522.553	Positive charged surface: 297.715	Negative charged surface: 209.439	Volume: 294.875
Hydrophobic surface: 445.674	Hydrophilic surface: 76.879

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.