MMsINC Database Search


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MMsINC code: MMs02368400

Type: Neutral
Formula: C₂₀H₂₀N₂

SMILES:

n1c2c(cccc2C)c(cc1)\C=C\c1ccc(N(C)C)cc1

InChI:

InChI=1/C20H20N2/c1-15-5-4-6-19-17(13-14-21-20(15)19)10-7-16-8-11-18(12-9-16)22(2)3/h4-14H,1-3H3/b10-7+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.742 kcal/mol

Physical Properties
Molecular Weight: 288.394 g/mol	logS: -4.93548	SlogP: 4.77962	Reactive groups: 0

Topological Properties
Globularity: 0.00511371	Sterimol/B1: 2.51244	Sterimol/B2: 2.52207	Sterimol/B3: 4.86732
Sterimol/B4: 5.14656	Sterimol/L: 18.2459

Surface and Volume Properties
Accessible surface: 572.989	Positive charged surface: 381.406	Negative charged surface: 186.272	Volume: 312
Hydrophobic surface: 559.502	Hydrophilic surface: 13.487

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.