MMsINC Database Search


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MMsINC code: MMs00227029

Type: Neutral
Formula: C₂₀H₁₅NO

SMILES:

Oc1cc(ccc1)-c1nc2c(c3c(cc2)cccc3)c(c1)C

InChI:

InChI=1/C20H15NO/c1-13-11-19(15-6-4-7-16(22)12-15)21-18-10-9-14-5-2-3-8-17(14)20(13)18/h2-12,22H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.269 kcal/mol

Physical Properties
Molecular Weight: 285.346 g/mol	logS: -6.35845	SlogP: 5.06902	Reactive groups: 0

Topological Properties
Globularity: 0.015501	Sterimol/B1: 2.07032	Sterimol/B2: 2.14065	Sterimol/B3: 3.24936
Sterimol/B4: 7.49112	Sterimol/L: 16.3148

Surface and Volume Properties
Accessible surface: 519.057	Positive charged surface: 276.202	Negative charged surface: 223.944	Volume: 283.5
Hydrophobic surface: 446.588	Hydrophilic surface: 72.469

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1

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Ions/Tautomers related molecules: no related molecules available.