MMsINC Database Search


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MMsINC code: MMs02857041

Type: Neutral
Formula: C₁₅H₁₆N₂

SMILES:

n1(c2c(cc(N(C)C)cc2)c2c1cccc2)C

InChI:

InChI=1/C15H16N2/c1-16(2)11-8-9-15-13(10-11)12-6-4-5-7-14(12)17(15)3/h4-10H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.0453 kcal/mol

Physical Properties
Molecular Weight: 224.307 g/mol	logS: -3.34288	SlogP: 3.7567	Reactive groups: 0

Topological Properties
Globularity: 0.0142595	Sterimol/B1: 2.19459	Sterimol/B2: 2.51262	Sterimol/B3: 2.51463
Sterimol/B4: 7.68408	Sterimol/L: 13.7274

Surface and Volume Properties
Accessible surface: 454.029	Positive charged surface: 317.208	Negative charged surface: 125.424	Volume: 241
Hydrophobic surface: 453.565	Hydrophilic surface: 0.464

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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.