MMsINC Database Search


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MMsINC code: MMs02360632

Type: Neutral
Formula: C₂₄H₁₅NO₂

SMILES:

OC(=O)c1cc(nc2c1cc1c(c2)cccc1)-c1c2c(ccc1)cccc2

InChI:

InChI=1/C24H15NO2/c26-24(27)21-14-23(19-11-5-9-15-6-3-4-10-18(15)19)25-22-13-17-8-2-1-7-16(17)12-20(21)22/h1-14H,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.419 kcal/mol

Physical Properties
Molecular Weight: 349.389 g/mol	logS: -8.09376	SlogP: 5.9064	Reactive groups: 0

Topological Properties
Globularity: 0.053723	Sterimol/B1: 2.29747	Sterimol/B2: 2.32092	Sterimol/B3: 4.64208
Sterimol/B4: 9.26096	Sterimol/L: 16.3797

Surface and Volume Properties
Accessible surface: 587.538	Positive charged surface: 291.656	Negative charged surface: 264.816	Volume: 335
Hydrophobic surface: 485.801	Hydrophilic surface: 101.737

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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: 0

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Ions/Tautomers related molecules

MMs02360633
NCID-ZINC01745555