MMsINC Database Search


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MMsINC code: MMs03251955

Type: Neutral
Formula: C₁₉H₂₀N₂

SMILES:

n1n(C(Cc2ccccc2)c2ccccc2)c(cc1C)C

InChI:

InChI=1/C19H20N2/c1-15-13-16(2)21(20-15)19(18-11-7-4-8-12-18)14-17-9-5-3-6-10-17/h3-13,19H,14H2,1-2H3/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.7822 kcal/mol

Physical Properties
Molecular Weight: 276.383 g/mol	logS: -3.93898	SlogP: 4.42751	Reactive groups: 0

Topological Properties
Globularity: 0.25344	Sterimol/B1: 2.03563	Sterimol/B2: 2.93942	Sterimol/B3: 5.55001
Sterimol/B4: 9.06202	Sterimol/L: 14.2584

Surface and Volume Properties
Accessible surface: 528.231	Positive charged surface: 316.412	Negative charged surface: 211.82	Volume: 301
Hydrophobic surface: 525.23	Hydrophilic surface: 3.001

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.