MMsINC Database Search


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MMsINC code: MMs02811240

Type: Neutral
Formula: C₂₀H₁₈N₂

SMILES:

n1c2c(n(Cc3cc4c(cc3)cccc4)c1CC)cccc2

InChI:

InChI=1/C20H18N2/c1-2-20-21-18-9-5-6-10-19(18)22(20)14-15-11-12-16-7-3-4-8-17(16)13-15/h3-13H,2,14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.0004 kcal/mol

Physical Properties
Molecular Weight: 286.378 g/mol	logS: -5.53843	SlogP: 5.06657	Reactive groups: 0

Topological Properties
Globularity: 0.100634	Sterimol/B1: 2.57303	Sterimol/B2: 3.46962	Sterimol/B3: 3.89224
Sterimol/B4: 9.00715	Sterimol/L: 13.7404

Surface and Volume Properties
Accessible surface: 528.422	Positive charged surface: 303.421	Negative charged surface: 213.709	Volume: 299.75
Hydrophobic surface: 474.312	Hydrophilic surface: 54.11

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.