MMsINC Database Search


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MMsINC code: MMs02403583

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)=119.86 kcal/mol

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

Topological Properties
Globularity: 0.0848946	Sterimol/B1: 2.02506	Sterimol/B2: 3.56234	Sterimol/B3: 3.99812
Sterimol/B4: 8.14915	Sterimol/L: 14.7473

Surface and Volume Properties
Accessible surface: 535.599	Positive charged surface: 384.516	Negative charged surface: 148.456	Volume: 306
Hydrophobic surface: 524.506	Hydrophilic surface: 11.093

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.