MMsINC Database Search


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MMsINC code: MMs00854349

Type: Neutral
Formula: C₁₉H₁₇NO

SMILES:

O=C(Nc1cccc(C)c1C)c1cc2c(cc1)cccc2

InChI:

InChI=1/C19H17NO/c1-13-6-5-9-18(14(13)2)20-19(21)17-11-10-15-7-3-4-8-16(15)12-17/h3-12H,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.1084 kcal/mol

Physical Properties
Molecular Weight: 275.351 g/mol	logS: -5.86714	SlogP: 4.70894	Reactive groups: 0

Topological Properties
Globularity: 0.0136575	Sterimol/B1: 2.21795	Sterimol/B2: 2.91727	Sterimol/B3: 3.31875
Sterimol/B4: 5.6041	Sterimol/L: 16.9987

Surface and Volume Properties
Accessible surface: 521.385	Positive charged surface: 280.268	Negative charged surface: 230.607	Volume: 281.25
Hydrophobic surface: 491.605	Hydrophilic surface: 29.78

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.